SCHEMBL863311

SCHEMBL863311

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C8 P10632 1/20 0.39
CDK2 P24941 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALPL P05186 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
KMO O15229 1/20 0.35
DHODH Q02127 3/20 0.35
IDO1 P14902 1/20 0.35
KDR P35968 1/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 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
SCHEMBL863178 0.90 KDR (0.39) CYP3A4CDK2MEN1KMT2AHPGD
SCHEMBL863223 0.82 ADORA2A (0.42) CYP3A4CDK2ADORA2AKDR
SCHEMBL20411750 0.78 ALPL (0.41) TGFBR1CYP1A2CYP3A4CYP2C8F2RL3
SCHEMBL863739 0.78 IDO1 (0.47) TGFBR1CYP1A2CYP3A4CYP2C8F2RL3
SCHEMBL27801911 0.77 CDK2 (0.43) CDK2MEN1KMT2AALDH1A1THRB
SCHEMBL28114489 0.75 CDK2 (0.42) CDK2MEN1KMT2AALDH1A1THRB
SCHEMBL16404995 0.74 ALPL (0.38) TGFBR1CYP1A2CYP3A4CYP2C8F2RL3
SCHEMBL17708555 0.74 ADORA2A (0.39) CYP3A4CDK2ALDH1A1ADORA2AKDR
SCHEMBL4864306 0.72 MAPKAPK2 (0.41) TGFBR1CYP1A2CYP3A4CYP2C8MEN1
SCHEMBL18287250 0.71 KMO (0.47) CYP3A4F2RL3ALPLKMODHODH

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 TGFBR1 778/4885CYP1A2 937/4885CYP3A4 999/4885

“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.