SCHEMBL247052

SCHEMBL247052

N#Cc1ccc(N=C(N)N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.73
NOS1 P29475 2/20 0.73
POLB P06746 1/20 0.64
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
SLC22A2 O15244 6/20 0.52
SLC22A1 O15245 6/20 0.52
SLC22A3 O75751 6/20 0.52
PLAU P00749 5/20 0.52
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5005289 0.78 NOS3 (0.67) NOS3NOS1CA12CA2CA9
SCHEMBL5005292 0.78 NOS3 (0.67) NOS3NOS1CA12CA2CA9
SCHEMBL9529527 0.77 NOS3 (0.59) NOS3NOS1CA12CA1CA2
Iodide SCHEMBL10519588 0.77 NOS3 (0.65) NOS3NOS1MEN1KMT2A
SCHEMBL21799345 0.75 PRSS1 (0.54) NOS3NOS1POLBSLC22A2SLC22A1
SCHEMBL2035942 0.74 NOS3 (0.57) NOS3NOS1CA12CA1CA2
SCHEMBL17396097 0.74 CYP2D6 (0.62) NOS3NOS1CA1CA2SLC22A2
SCHEMBL7048572 0.73 NOS3 (0.56) NOS3NOS1CA12CA1CA2
SCHEMBL15058734 0.72 NOS3 (0.66) NOS3NOS1CA12CA1CA2
SCHEMBL15058732 0.72 NOS3 (0.66) NOS3NOS1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119931524-A Special purpose composite waterproof coiled material and production process thereof 北京宇阳泽丽防水材料有限责任公司 2025-05-06 CN claimed
CN-119931524-A Special purpose composite waterproof coiled material and production process thereof 北京宇阳泽丽防水材料有限责任公司 2025-05-06 CN disclosed
EP-3621952-A1 METHOD FOR THE PRODUCTION OF PHENYLGUANIDINES OR THE SALTS THEREOF AlzChem Trostberg GmbH (DE) 2020-03-18 EP disclosed
WO-2018210633-A1 METHOD FOR THE PRODUCTION OF PHENYLGUANIDINES OR THE SALTS THEREOF ALZCHEM TROSTBERG GMBH (DE) 2018-11-22 WO disclosed
CN-103373965-B The preparation method of etravirine and intermediate thereof SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) 2016-04-27 CN disclosed
EP-2342186-B1 PROCESS FOR SYNTHESIS OF ETRAVIRINE EMCURE PHARMACEUTICALS LTD (IN) 2014-09-17 EP disclosed
US-8618291-B2 Process for preparing 4-[(1,6-dihydro-6-OXO-2-pyrimidinyl)amino]benzonitrile TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-12-31 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
CN-103373965-A Preparation methods of etravirine and intermediate body thereof SHANGHAI DESANO PHARMACEUTICAL CO LTD 2013-10-30 CN 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
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
US-8101752-B2 Process for preparing 4-[(1,6-dihydro-6-oxo-2-pyrimidinyl)amino]benzonitrile TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-01-24 US disclosed
WO-2012001695-A1 A PROCESS FOR ETRA VIRINE INTERMEDIATE AND POLYMORPHS OF ETRAVIRINE HETERO RESEARCH FOUNDATION (IN) 2012-01-05 WO disclosed
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR GURJAR MUKUND KESHAV 2011-08-11 US disclosed
EP-2342186-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Emcure Pharmaceuticals Limited (IN) 2011-07-13 EP disclosed
WO-2010150279-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR EMCURE PHARMACEUTICALS LIMITED (IN) 2010-12-29 WO disclosed
US-20080171878-A1 Process for Preparing 4-[(1,6-Dihydro-6-Oxo-2-Pyrimidinyl)Amino]Benzonitrile JANSSEN SCIENCES IRELAND UC (IE) 2008-07-17 US disclosed
EP-1888537-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO BENZONITRILE Tibotec Pharmaceuticals Ltd. (IE) 2008-02-20 EP disclosed
WO-2006125809-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO BENZONITRILE TIBOTEC PHARMACEUTICALS LTD (IE) 2006-11-30 WO disclosed
EP-0392802-A2 Preparation of urea analogues and their use in bronchial, cerebrovascular and neuronal disorders Beecham Group p.l.c. (GB) 1990-10-17 EP 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 (3 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-20080171878-A1 Process for Preparing 4-[(1,6-Dihydro-6-Oxo-2-Pyrimidinyl)Amino]Benzonitrile ME1, ALKBH1, DPYD NOS3 3946/4885NOS1 1657/4885POLB 177/4885
US-20120083606-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO]BENZONITRILE ME1, ALKBH1, DPYD NOS3 3946/4885NOS1 1657/4885POLB 177/4885
US-20110196156-A1 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR TYMP, DPYD, POLR2H NOS3 3335/4885NOS1 3359/4885POLB 11/4885

“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.