SCHEMBL159102

SCHEMBL159102

CSc1ncc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PCSK9 Q8NBP7 1/20 0.44
CYP1A2 P05177 4/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
HPGD P15428 2/20 0.41
NTRK1 P04629 1/20 0.41
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29937346 1.00 KDM4E (0.44) KDM4ESMN1; SMN2LMNAHTTPCSK9
SCHEMBL15659227 0.83 KDM4E (0.45) KDM4EPCSK9CYP1A2ALDH1A1MAPT
SCHEMBL15659229 0.79 KDM4E (0.42) KDM4EPCSK9CYP1A2ALDH1A1MAPT
SCHEMBL15565731 0.76 HASPIN (0.53) KDM4EHTTALDH1A1NTRK1MEN1
SCHEMBL30443506 0.76 HASPIN (0.49) KDM4ESMN1; SMN2HTTALDH1A1NTRK1
SCHEMBL17049278 0.76 RPS6KA5 (0.48) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL30904526 0.75 KDM4E (0.38) KDM4EPCSK9CYP1A2ALDH1A1MAPT
SCHEMBL28036135 0.74 HAO1 (0.41) KDM4ESMN1; SMN2HTTCYP1A2ALDH1A1
SCHEMBL17652985 0.73 ALDH1A1 (0.44) KDM4ELMNAHTTCYP1A2ALDH1A1
SCHEMBL1571542 0.73 ESR2 (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
EP-4329888-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Amgen Inc. (US) 2024-03-06 EP disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
WO-2023011629-A1 PYRROLIDONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-02-09 WO disclosed
WO-2022232332-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2022-11-03 WO disclosed
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same LG CHEM, LTD. (KR) 2021-05-11 US disclosed
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
EP-2611789-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012069601-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
WO-2012030948-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
EP-1680122-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2006-07-19 EP disclosed
WO-2005037285-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-04-28 WO disclosed
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase CHIRON CORPORATION (US) 2005-04-21 US disclosed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
US-4060615-A ANTIHYPERTENSIVE, PHOSPHODIESTERASE INHIBITOR MEAD JOHNSON & COMPANY (US) 1977-11-29 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 (5 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 KDM4E 3779/4885SMN1; SMN2 3098/4885LMNA 2041/4885
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase RAF1, BRAF, ARAF KDM4E 2503/4885SMN1; SMN2 4184/4885LMNA 3608/4885
US-11001752-B2 Double spiro organic compound and organic electronic element comprising same DCX, TERT, TELO2 KDM4E 1392/4885SMN1; SMN2 121/4885LMNA 1895/4885
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE RAF1, BRAF, ARAF KDM4E 2503/4885SMN1; SMN2 4184/4885LMNA 3608/4885
US-20180148640-A1 DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME DCX, TERT, TELO2 KDM4E 1392/4885SMN1; SMN2 121/4885LMNA 1895/4885

“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.