SCHEMBL249084

SCHEMBL249084

N#Cc1ccc(Nc2nc(O)cc(O)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
VCP P55072 2/20 0.48
ABCG2 Q9UNQ0 7/20 0.48
ABCB1 P08183 6/20 0.48
ABCC1 P33527 3/20 0.48
CTSK P43235 2/20 0.47
CTSS P25774 1/20 0.47
JAK2 O60674 1/20 0.46
TTK P33981 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
MERTK Q12866 1/20 0.44
ABCC3 O15438 1/20 0.44
ESR1 P03372 1/20 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
SCHEMBL13729350 0.89 JAK2 (0.56) SYKVCPABCG2ABCB1ABCC1
SCHEMBL21914834 0.85 CTSK (0.58) SYKABCG2ABCB1ABCC1CTSK
SCHEMBL13086647 0.82 VSIR (0.43) SYKVCPABCG2ABCB1ABCC1
SCHEMBL4486162 0.81 KCNH2 (0.58) SYKABCG2JAK2KCNH2SCN5A
SCHEMBL13681538 0.80 KDR (0.50) SYKVCPABCG2ABCB1ABCC1
SCHEMBL21915358 0.79 CTSK (0.54) SYKVCPABCG2ABCB1CTSK
SCHEMBL248043 0.79 PDE4B (0.49) SYKABCG2ABCB1ABCC1CTSK
SCHEMBL12158707 0.79 JAK2 (0.59) SYKABCG2ABCB1ABCC1CTSK
SCHEMBL24490452 0.78 ABCG2 (0.59) SYKABCG2ABCB1CTSKCTSS
SCHEMBL24490436 0.78 ABCG2 (0.59) SYKABCG2ABCB1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101993420-A Preparation method of 4-[(4,6-dihydroxyl-2-pyrimidinyl)amino] cyanobenzene ZHEJIANG JIUZHOU PHARM CO LTD 2011-03-30 CN claimed
EP-2702045-B1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE MYLAN LABORATORIES LTD (IN) 2017-10-18 EP disclosed
US-20150336900-A1 Process for the Synthesis of Etravirine and Its Intermediates BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2015-11-26 US disclosed
US-20150336900-A1 Process for the Synthesis of Etravirine and Its Intermediates BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2015-11-26 US disclosed
US-9006243-B2 HIV inhibiting 6-substituted pyrimidines JANSSEN R&D IRELAND (IE) 2015-04-14 US disclosed
US-9006243-B2 HIV inhibiting 6-substituted pyrimidines JANSSEN R&D IRELAND (IE) 2015-04-14 US disclosed
EP-1853567-B1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE DERIVATIVES JANSSEN R & D IRELAND (IE) 2014-12-31 EP disclosed
EP-2342186-B1 PROCESS FOR SYNTHESIS OF ETRAVIRINE EMCURE PHARMACEUTICALS LTD (IN) 2014-09-17 EP disclosed
WO-2014068588-A2 PROCESS FOR THE SYNTHESIS OF ETRAVIRINE AND ITS INTERMEDIATES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2014-05-08 WO disclosed
EP-2702045-A1 NOVEL PROCESS FOR THE PREPARATION OF ETRAVIRINE Mylan Laboratories, Limited (IN) 2014-03-05 EP disclosed
CN-101993420-A Preparation method of 4-[(4,6-dihydroxyl-2-pyrimidinyl)amino] cyanobenzene ZHEJIANG JIUZHOU PHARM CO LTD 2011-03-30 CN disclosed
CN-101993420-A Preparation method of 4-[(4,6-dihydroxyl-2-pyrimidinyl)amino] cyanobenzene ZHEJIANG JIUZHOU PHARM CO LTD 2011-03-30 CN disclosed
WO-2010150279-A2 PROCESS FOR SYNTHESIS OF DIARYLPYRIMIDINE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR EMCURE PHARMACEUTICALS LIMITED (IN) 2010-12-29 WO disclosed
US-20100016317-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES JANSSEN SCIENCES IRELAND UC (IE) 2010-01-21 US disclosed
US-20100016317-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES JANSSEN SCIENCES IRELAND UC (IE) 2010-01-21 US disclosed
US-20090124644-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
US-20090124644-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
US-20080194602-A1 Hiv Inhibiting 2-(4-Cyanophenylamino) Pyrimidine Oxide Derivatives SONY CORPORATION (JP) 2008-08-14 US disclosed
US-20080194602-A1 Hiv Inhibiting 2-(4-Cyanophenylamino) Pyrimidine Oxide Derivatives SONY CORPORATION (JP) 2008-08-14 US disclosed
WO-2008080964-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-07-10 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-20150336900-A1 Process for the Synthesis of Etravirine and Its Intermediates CYP3A4, CYP3A5, ERN1 SYK 4358/4885VCP 1196/4885ABCG2 1685/4885
US-20080194602-A1 Hiv Inhibiting 2-(4-Cyanophenylamino) Pyrimidine Oxide Derivatives RTF2, SAMHD1, NUDT1 SYK 4528/4885VCP 2024/4885ABCG2 616/4885
US-20100016317-A1 HIV INHIBITING 6-SUBSTITUTED PYRIMIDINES CCR5, CTR9, NR1H3 SYK 4347/4885VCP 4080/4885ABCG2 491/4885
US-20090124644-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES NR4A3, NR4A1, NR4A2 SYK 2773/4885VCP 3895/4885ABCG2 659/4885

“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.