SCHEMBL77225

SCHEMBL77225

Cc1c(C)c(C)c2c(c1C)c(C)c(C)n2C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 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
SCHEMBL13444378 0.81
SCHEMBL10331063 0.78
SCHEMBL13444359 0.78
SCHEMBL17052683 0.74 KDM4E (0.34) KDM4EALDH1A1GAAMAPK1
SCHEMBL13444385 0.73
SCHEMBL18748208 0.73
SCHEMBL14791120 0.72
SCHEMBL18213892 0.71
SCHEMBL13444377 0.70
SCHEMBL13297910 0.69 KDM4E (0.46) KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
US-11731977-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-08-22 US disclosed
US-11698480-B2 Optical product and optical filter including same LMS CO., LTD. (KR) 2023-07-11 US disclosed
US-20230128639-A1 PROCESS FOR PREPARING SOLUBLE GUANYLATE CYCLASE STIMULATORS TISENTO THERAPEUTICS INC. 2023-04-27 US disclosed
US-10042209-B2 Optical anisotropic film LG CHEM, LTD. (KR) 2018-08-07 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-20180193341-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-12 US disclosed
US-20180161336-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 US disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
US-9987284-B2 Substituted benzooxadiazole DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-05 US disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-20090045725-A1 POLYARYLENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080061673-A1 Solution Composition And Polymer Light-Emitting Device SUMITOMO CHEMICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
US-20070203142-A1 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 US disclosed
US-20070158214-A1 Electrochemical method and system for detection of trace explosives MEDIS TECHNOLOGIES LTD. (IL) 2007-07-12 US disclosed
US-20070131566-A1 Electrochemical method and system for detection of trace explosives MEDIS TECHNOLOGIES LTD. (IL) 2007-06-14 US disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 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 (12 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-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 KDM4E 569/4885ALDH1A1 2519/4885GAA 180/4885
US-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI KDM4E 4805/4885ALDH1A1 4330/4885GAA 1101/4885
US-20070203142-A1 for treating proliferative disorders, cardiac disorders, neurodegenerative disorders, autoimmune disorders, conditions associated with organ transplantation, inflammatory disorders, and/or immunologically mediated disorders JAK1, JAK3, MYLK2 KDM4E 2438/4885ALDH1A1 3464/4885GAA 1356/4885
US-20230128639-A1 PROCESS FOR PREPARING SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A2, GUCY1B2, GUCY1A1 KDM4E 2005/4885ALDH1A1 3061/4885GAA 1954/4885
US-20180193341-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885ALDH1A1 2935/4885GAA 234/4885
US-20180161336-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885ALDH1A1 2935/4885GAA 234/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK KDM4E 910/4885ALDH1A1 2935/4885GAA 234/4885
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 KDM4E 544/4885ALDH1A1 2028/4885GAA 1749/4885
US-11731977-B2 SGC stimulators GUCY1A2, PRKG1, GMPS KDM4E 3250/4885ALDH1A1 2650/4885GAA 250/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B KDM4E 1970/4885ALDH1A1 1218/4885GAA 4200/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 KDM4E 2331/4885ALDH1A1 2525/4885GAA 3296/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 KDM4E 911/4885ALDH1A1 1902/4885GAA 2776/4885

“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.