SCHEMBL1741981

SCHEMBL1741981

N#Cc1ccc(Nc2ncccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55
SYK P43405 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABCG2 Q9UNQ0 6/20 0.50
IKBKB O14920 2/20 0.49
CDK4 P11802 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
DYRK1A Q13627 1/20 0.49
TDO2 P48775 1/20 0.47
ABCB1 P08183 2/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
JAK2 O60674 1/20 0.46
CDC7 O00311 1/20 0.44
CYP1A2 P05177 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
SCHEMBL28610259 0.82 SYK (0.51) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL21914834 0.81 CTSK (0.58) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL27818985 0.80 AURKA (0.39) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL27637976 0.79 SYK (0.56) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL16227778 0.79 ABCG2 (0.57) MEN1KMT2AABCG2ABCB1KDR
SCHEMBL3697392 0.79 KCNH2 (0.58) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL13713315 0.79 KCNH2 (0.58) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL4486162 0.79 KCNH2 (0.58) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL867999 0.79 KCNH2 (0.58) KCNH2SCN5ASCN9ASYKMEN1
SCHEMBL10177401 0.79 SCN9A (0.84) KCNH2SCN5ASCN9ASYKMEN1

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-1853567-B1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE DERIVATIVES JANSSEN R & D IRELAND (IE) 2014-12-31 EP disclosed
WO-2014072419-A1 NOVEL ANTI-HIV COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2014-05-15 WO disclosed
CN-101107234-B HIV inhibiting 2-(4-cyanophenylamino) pyrimidine derivatives TIBOTEC PHARM LTD 2013-06-19 CN disclosed
CN-101107234-B HIV inhibiting 2-(4-cyanophenylamino) pyrimidine derivatives TIBOTEC PHARM LTD 2013-06-19 CN disclosed
EP-2388249-A1 HIV inhibiting 2-(4-cyanophenylamino) pyrimidine derivatives Tibotec Pharmaceuticals (IE) 2011-11-23 EP disclosed
US-20110255174-A1 Display Device with an Optical Combiner Corrected for Chromatic Aberrations THALES (FR) 2011-10-20 US disclosed
EP-1853568-B1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO)PYRIMIDINE DERIVATIVES TIBOTEC PHARM LTD (IE) 2011-09-07 EP disclosed
US-20090124644-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
CN-101107234-A HIV inhibiting 2-(4-cyanophenylamino) pyrimidine derivatives TIBOTEC PHARM LTD (IE) 2008-01-16 CN disclosed
EP-1853568-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES Tibotec Pharmaceuticals Ltd. (IE) 2007-11-14 EP disclosed
EP-1853568-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES Tibotec Pharmaceuticals Ltd. (IE) 2007-11-14 EP disclosed
EP-1853567-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE DERIVATIVES Tibotec Pharmaceuticals Ltd. (IE) 2007-11-14 EP disclosed
WO-2006087387-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-08-24 WO disclosed
WO-2006079656-A1 HIV INHIBITING 2-( 4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-08-03 WO disclosed
WO-2006079656-A1 HIV INHIBITING 2-( 4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-08-03 WO disclosed
CN-1234347-C Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2006-01-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1376057-A Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2002-10-23 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 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 (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-20090124644-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE DERIVATIVES NR4A3, NR4A1, NR4A2 KCNH2 4691/4885SCN5A 2496/4885SCN9A 3703/4885

“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.