SCHEMBL863178

SCHEMBL863178

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
CDK2 P24941 4/20 0.38
P2RY6 Q15077 1/20 0.37
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
ALOX15 P16050 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL863311 0.90 TGFBR1 (0.39) KDRCDK2ADORA2ASMN1; SMN2NPSR1
SCHEMBL863223 0.83 ADORA2A (0.42) KDRCDK2P2RY6ADORA2ACYP3A4
SCHEMBL863097 0.77 COMT (0.41) SMN1; SMN2NPSR1MAPTCASP3SENP8
SCHEMBL17708555 0.75 ADORA2A (0.39) KDRCDK2P2RY6ADORA2ANPSR1
SCHEMBL11983623 0.68 CCR1 (0.57) KDRP2RY6MEN1KMT2A
SCHEMBL3986898 0.68 P2RY6 (0.33) P2RY6ADORA2ANPC1RAB9A
SCHEMBL6285309 0.68 MAPT (0.50) KDRCDK2SMN1; SMN2NPSR1MAPT
SCHEMBL20411750 0.68 ALPL (0.41) SMN1; SMN2NPSR1MAPTCASP3SENP8
SCHEMBL863739 0.68 IDO1 (0.47) CYP3A4
SCHEMBL8090286 0.67 CCR1 (0.52) MAP3K5GRM2HDAC1

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 KDR 264/4885CDK2 23/4885P2RY6 1999/4885

“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.