SCHEMBL1880263

SCHEMBL1880263

N#Cc1ccc(Nc2nccc[n+]2[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.42
ABCB1 P08183 3/20 0.38
SYK P43405 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
IKBKB O14920 1/20 0.36
MAPT P10636 1/20 0.36
DHODH Q02127 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2469218 0.80 HSD17B10 (0.39) ABCG2IKBKBMAPTDHODH
SCHEMBL1741981 0.73 KCNH2 (0.55) ABCG2ABCB1SYKKCNH2SCN5A
SCHEMBL16227778 0.69 ABCG2 (0.57) ABCG2ABCB1KDRHSD11B1
SCHEMBL5118835 0.68 ABCG2 (0.40) ABCG2ABCB1EGFRKDRMAPT
SCHEMBL395539 0.68 CA2 (0.52) ABCG2ABCB1SYKEGFRKDR
SCHEMBL23319512 0.66 ABCG2 (0.50) ABCG2SYKCYP1A2CYP3A4CYP2D6
SCHEMBL15159901 0.66 ABCG2 (0.50) ABCG2ABCB1IKBKBHSD11B1
SCHEMBL10094595 0.66 NPC1 (0.51) ABCG2SYKCYP1A2CYP3A4CYP2D6
SCHEMBL4807750 0.66 CA12 (0.57) ABCG2SYKKCNH2SCN5ASCN9A
SCHEMBL6801519 0.65 LRRK2 (0.56) ABCG2ABCB1SYKKCNH2SCN5A

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 9 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
US-7935711-B2 HIV inhibiting 2-(4-cyanophenylamino) pyrimidine oxide derivatives TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-05-03 US disclosed
CN-101119976-B HIV inhibiting 2-(4-cyanophenylamino) pyrimidine oxide derivatives TIBOTEC PHARM LTD 2010-12-22 CN disclosed
US-20080194602-A1 Hiv Inhibiting 2-(4-Cyanophenylamino) Pyrimidine Oxide Derivatives SONY CORPORATION (JP) 2008-08-14 US disclosed
CN-101119976-A HIV inhibiting 2-(4-cyanophenylamino) pyrimidine oxide derivatives TIBOTEC PHARM LTD (IE) 2008-02-06 CN disclosed
EP-1853567-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE 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-2006087387-A1 HIV INHIBITING 2-(4-CYANOPHENYLAMINO) PYRIMIDINE OXIDE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-08-24 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-20080194602-A1 Hiv Inhibiting 2-(4-Cyanophenylamino) Pyrimidine Oxide Derivatives RTF2, SAMHD1, NUDT1 ABCG2 616/4885ABCB1 378/4885SYK 4528/4885

“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.