SCHEMBL10123652

SCHEMBL10123652

Cc1cc(C(C)(C)C)sc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
DAO P14920 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.33
PDPK1 O15530 1/20 0.32
POLB P06746 1/20 0.32
PRKDC P78527 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22789204 0.77 DAO (0.37) KDM4EALDH1A1MAPTMEN1DAO
SCHEMBL26321651 0.77 ALDH1A1 (0.40) KDM4EALDH1A1MAPTPDPK1POLB
SCHEMBL13400736 0.77 PDPK1 (0.32) KMT2APDPK1POLBPRKDCERCC5
SCHEMBL17342288 0.75 PRKDC (0.33) PDPK1PRKDC
SCHEMBL21720008 0.75 PDPK1 (0.31) PDPK1POLB
SCHEMBL21721334 0.75 PDPK1 (0.31) PDPK1
SCHEMBL20844037 0.75 MRGPRX1 (0.33) PDPK1
SCHEMBL21721618 0.75 PDPK1 (0.31) PDPK1POLB
SCHEMBL21721212 0.75 PDPK1 (0.31) PDPK1POLB
SCHEMBL10058091 0.75 DAO (0.42) DAOPDPK1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2022-12-29 US disclosed
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-07-12 US disclosed
US-20150087825-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF XU YING-ZI (US) 2015-03-26 US disclosed
US-20150087826-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF XU YING-ZI (US) 2015-03-26 US disclosed
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-02-23 US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF KDM4E 4070/4885ALDH1A1 1973/4885MAPT 4153/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KDM4E 1877/4885ALDH1A1 3152/4885MAPT 1996/4885
US-11384066-B1 Heterocyclic compounds useful as aurora a selective inhibitors AURKA, AURKC, AURKB KDM4E 1090/4885ALDH1A1 2687/4885MAPT 1001/4885
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A KDM4E 3333/4885ALDH1A1 2278/4885MAPT 970/4885
US-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 KDM4E 1296/4885ALDH1A1 116/4885MAPT 3352/4885
US-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine NLRP3, NLRP1, PYCARD KDM4E 2964/4885ALDH1A1 2160/4885MAPT 1179/4885
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 2422/4885ALDH1A1 1237/4885MAPT 1860/4885
US-20150087826-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP KDM4E 4450/4885ALDH1A1 56/4885MAPT 105/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB KDM4E 985/4885ALDH1A1 2071/4885MAPT 1204/4885
US-20150087825-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP KDM4E 4450/4885ALDH1A1 56/4885MAPT 105/4885
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF NOD2, NOD1, NLRP1 KDM4E 4809/4885ALDH1A1 4784/4885MAPT 564/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B KDM4E 1788/4885ALDH1A1 4253/4885MAPT 2077/4885
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 KDM4E 2770/4885ALDH1A1 3577/4885MAPT 105/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 KDM4E 1360/4885ALDH1A1 123/4885MAPT 3097/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.