SCHEMBL5028773

SCHEMBL5028773

O=c1c2ccccc2nc(S)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
POLB P06746 2/20 0.56
LMNA P02545 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 2/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
IDO2 Q6ZQW0 2/20 0.46
NPC1 O15118 1/20 0.46
NTRK1 P04629 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 1/20 0.46
MAPK8 P45983 1/20 0.46
RAB9A P51151 1/20 0.46
NTRK2 Q16620 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HCAR1 Q9BXC0 3/20 0.44

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
SCHEMBL9338110 0.83 L3MBTL1 (1.00) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL24090149 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL9670692 0.80 LMNA (0.58) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL5028796 0.78 LMNA (0.57) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL5028779 0.78 ALDH1A1 (0.73) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL1129120 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL9670555 0.76 NPC1 (0.58) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL1129431 0.75 ALDH1A1 (0.49) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL1129535 0.75 ALDH1A1 (0.49) ALDH1A1L3MBTL1POLBLMNAKMT2A
SCHEMBL1129588 0.75 L3MBTL1 (0.68) ALDH1A1L3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US claimed
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO claimed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
EP-2361248-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-09-19 EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-8609679-B2 2,4-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-12-17 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-8450335-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-28 US disclosed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO disclosed
US-20050038051-A1 Novel molecules for regulating cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 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 (11 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885L3MBTL1 3899/4885POLB 3726/4885
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 ALDH1A1 4015/4885L3MBTL1 421/4885POLB 3457/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885L3MBTL1 2337/4885POLB 1191/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885L3MBTL1 3899/4885POLB 3726/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885L3MBTL1 2337/4885POLB 1191/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 ALDH1A1 1989/4885L3MBTL1 2144/4885POLB 1267/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885L3MBTL1 3899/4885POLB 3726/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885L3MBTL1 3899/4885POLB 3726/4885
US-20050038051-A1 Novel molecules for regulating cell death AIFM1, BAX, HSPE1 ALDH1A1 4015/4885L3MBTL1 421/4885POLB 3457/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885L3MBTL1 2337/4885POLB 1191/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885L3MBTL1 3899/4885POLB 3726/4885

“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.