SCHEMBL5952271

SCHEMBL5952271

CCOc1cc(N)c(N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM1A O60341 2/20 0.45
NPC1 O15118 2/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CREBBP Q92793 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TUBB1 Q9H4B7 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL17543319 0.89 MAPT (0.47) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL3255484 0.89 MAPT (0.47) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL4568234 0.84 HSD17B10 (0.43) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL27304096 0.84 NPC1 (0.46) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL8503295 0.84 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL26930431 0.83 MAPT (0.50) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL26930672 0.82 CYP1A2 (0.52) MAPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL22359521 0.81 MAPT (0.41) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL15826627 0.79 CYP1A2 (0.44) MAPTL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL7028420 0.79 MAPT (0.64) MAPTL3MBTL1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2909205-B1 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 EP disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAPT 3479/4885L3MBTL1 4599/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885L3MBTL1 4187/4885ALDH1A1 862/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 MAPT 4174/4885L3MBTL1 4075/4885ALDH1A1 421/4885
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885L3MBTL1 2938/4885ALDH1A1 944/4885

“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.