SCHEMBL6315147

SCHEMBL6315147

O=Cc1ncoc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ADORA2A P29274 1/20 0.33
RET P07949 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LTA4H P09960 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1759623 0.81 ADORA2A (0.50) KDM4EALDH1A1POLBNOTUMHSD17B10
SCHEMBL18003839 0.81 MAPK14 (0.42) GAAPOLBMAPK14
SCHEMBL18003836 0.80 NOTUM (0.44) ALDH1A1SMN1; SMN2POLBNOTUMHSD17B10
SCHEMBL16094180 0.78 GSK3B (0.44) NOTUM
SCHEMBL6322041 0.77 PTGS2 (0.41)
SCHEMBL6320656 0.77 MAPT (0.41) GAAKDM4EALDH1A1POLBMAPT
SCHEMBL472411 0.72 GAA (0.49) GAAKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL472581 0.72 GAA (0.49) GAAKDM4ESMN1; SMN2L3MBTL1NOTUM
SCHEMBL18003820 0.70 IKBKB (0.43) GAAKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL1167383 0.70 GAA (0.68) GAAKDM4EFFAR4ADORA2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US disclosed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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 (4 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-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 GAA 687/4885KDM4E 1638/4885ALDH1A1 980/4885
US-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD GAA 18/4885KDM4E 4478/4885ALDH1A1 372/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 GAA 1085/4885KDM4E 1839/4885ALDH1A1 1500/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR GAA 649/4885KDM4E 2371/4885ALDH1A1 1506/4885

“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.