SCHEMBL863739

SCHEMBL863739

Cc1cc(-c2ccn[nH]2)nc(-c2ccc(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
NOTUM Q6P988 3/20 0.44
ATR Q13535 2/20 0.41
ATRIP Q8WXE1 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ADRA1A P35348 1/20 0.39
ALPL P05186 3/20 0.39
KMO O15229 1/20 0.38
P2RX7 Q99572 2/20 0.37
COMT P21964 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
TGFBR1 P36897 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL863097 0.90 COMT (0.41) IDO1NOTUMCOMTALDH1A1
SCHEMBL863096 0.82 COMT (0.49) NOTUMCOMTALDH1A1
SCHEMBL20411750 0.81 ALPL (0.41) ALPLKMOALDH1A1CYP1A2CYP3A4
SCHEMBL863311 0.78 TGFBR1 (0.39) IDO1ALPLKMOALDH1A1CYP1A2
SCHEMBL16404995 0.76 ALPL (0.38) ALPLKMOALDH1A1CYP1A2CYP3A4
SCHEMBL17071783 0.72 IDO1 (0.62) IDO1NOTUMHCRTR1HCRTR2ADRA1A
SCHEMBL18287250 0.71 KMO (0.47) ALPLKMOP2RX7CYP3A4F2RL3
SCHEMBL30442505 0.69 IDO1 (0.67) IDO1NOTUMADRA1ACOMTALDH1A1
SCHEMBL503953 0.69 CCR1 (0.55) HCRTR1HCRTR2ALPLKMOALDH1A1
SCHEMBL29766750 0.69 CCR1 (0.55) HCRTR1HCRTR2ALPLKMOALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US 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-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS RUVBL2, RUVBL1, CCNL2 IDO1 1449/4885NOTUM 3748/4885ATR 2658/4885

“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.