SCHEMBL385200

SCHEMBL385200

N#Cc1ccc(Nc2nccc(=O)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.46
CSNK1A1 P48729 5/20 0.43
CSNK1D P48730 5/20 0.43
GSK3B P49841 4/20 0.43
CSNK1G2 P78368 4/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
LRRK2 Q5S007 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DHODH Q02127 1/20 0.39
DOT1L Q8TEK3 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL2282586 0.78 TAAR1 (0.59) IKBKBMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL12235572 0.76 DOT1L (0.42) MEN1KMT2ASMN1; SMN2TAAR1DOT1L
SCHEMBL578958 0.75 GAA (0.54) MEN1KMT2ASMN1; SMN2TAAR1POLB
SCHEMBL10002050 0.75 CSNK1A1 (0.49) CSNK1A1CSNK1DGSK3BCSNK1G2SMN1; SMN2
SCHEMBL27825198 0.75 MAPT (0.57) ABCG2CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL6295526 0.71 MAPT (0.51) MEN1KMT2ASMN1; SMN2TAAR1DOT1L
SCHEMBL16423097 0.70 MAPK10 (0.49) SMN1; SMN2GAAMAPT
SCHEMBL2726148 0.69 CA1 (0.45) MEN1KMT2ASMN1; SMN2TAAR1DOT1L
SCHEMBL384215 0.69 CSNK1A1 (0.43) ABCG2CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL15413751 0.69 CCNB2 (0.34) ABCG2GSK3BPOLBMAPTMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539163-B HIV-1 reverse transcriptase inhibitor and its synthesis process 复旦大学 2023-05-30 CN claimed
CN-114539163-A HIV-1 reverse transcriptase inhibitor and synthetic method thereof 复旦大学 2022-05-27 CN claimed
EP-4707391-A1 NUCLEIC ACID COMPOUNDS FOR ZPI INHIBITION e-therapeutics PLC (GB) 2026-03-11 EP disclosed
CN-114539163-B HIV-1 reverse transcriptase inhibitor and its synthesis process 复旦大学 2023-05-30 CN disclosed
CN-114539163-A HIV-1 reverse transcriptase inhibitor and synthetic method thereof 复旦大学 2022-05-27 CN disclosed
EP-2872492-A2 PROCESS FOR RILPIVIRINE USING NOVEL INTERMEDIATE Hetero Research Foundation (IN) 2015-05-20 EP disclosed
WO-2014009968-A2 PROCESS FOR RILPIVIRINE USING NOVEL INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2014-01-16 WO disclosed
EP-1888537-B1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO BENZONITRILE JANSSEN R & D IRELAND (IE) 2013-09-11 EP disclosed
EP-1888537-B1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO BENZONITRILE JANSSEN R & D IRELAND (IE) 2013-09-11 EP disclosed
CN-101248051-B Process for preparing 4- [ (1, 6-dihydro-6-oxo-2-pyrimidinyl) amino ] benzonitrile TIBOTEC PHARM LTD 2013-07-17 CN disclosed
US-20120083606-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO]BENZONITRILE JANSSEN SCIENCES IRELAND UC (IE) 2012-04-05 US disclosed
EP-1529032-A1 PROCESSES FOR THE PREPARATION OF 4- 4- 4-(2 -CYANOETHENYL)-2,6-DIMETHYLPHENYL )AMINO) -2-PYRIMIDINYL)AMINO BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-11 EP disclosed
WO-2004050068-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-17 WO disclosed
WO-2004050058-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A BASIC RESPECTIVELY ACIDIC DRUG COMPOUND, A SURFACTANT AND A PHYSIOLOGICALLY TOLERABLE WATER-SOLUBLE ACID RESPECTIVELY BASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-17 WO disclosed
EP-1419152-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-19 EP disclosed
WO-2004016581-A1 PROCESSES FOR THE PREPARATION OF 4-[[4-[[4-(2-CYANOETHENYL)-2,6-DIMETHYLPHENYL]AMINO]-2-PYRIMIDINYL]AMINO]BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 WO disclosed
WO-2003016306-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-27 WO disclosed
EP-1225874-A1 ANTIVIRAL COMPOSITIONS Janssen Pharmaceutica N.V. (BE) 2002-07-31 EP disclosed
WO-2001022938-A1 ANTIVIRAL COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-04-05 WO disclosed
WO-2000027825-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-18 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 (1 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-20120083606-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO]BENZONITRILE ME1, ALKBH1, DPYD ABCG2 3147/4885CSNK1A1 3246/4885CSNK1D 4049/4885

“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.