SCHEMBL863223

SCHEMBL863223

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
PARP1 P09874 1/20 0.40
P2RY6 Q15077 1/20 0.39
PDGFRB P09619 1/20 0.38
PBRM1 Q86U86 1/20 0.38
ACP1 P24666 1/20 0.36
CYP3A4 P08684 1/20 0.36
BACE1 P56817 1/20 0.35
TACR3 P29371 1/20 0.35
KDR P35968 3/20 0.35
CDK2 P24941 1/20 0.35
CHEK1 O14757 2/20 0.35
HSF1 Q00613 1/20 0.35
NT5E P21589 1/20 0.34
MET P08581 1/20 0.33

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
SCHEMBL17708555 0.90 ADORA2A (0.39) ADORA2AKDM4CPARP1P2RY6PDGFRB
SCHEMBL863178 0.83 KDR (0.39) ADORA2AP2RY6CYP3A4KDRCDK2
SCHEMBL863311 0.82 TGFBR1 (0.39) ADORA2ACYP3A4KDRCDK2
SCHEMBL11983623 0.79 CCR1 (0.57) KDM4CP2RY6KDRCHEK1
SCHEMBL20019709 0.78 PARP1 (0.44) ADORA2AKDM4CPARP1PDGFRBBACE1
SCHEMBL29094507 0.76 ADORA2A (0.38) ADORA2AKDM4CPARP1P2RY6PDGFRB
SCHEMBL3986898 0.75 P2RY6 (0.33) ADORA2AKDM4CPARP1P2RY6BACE1
SCHEMBL18051426 0.74 HDAC1 (0.39) ADORA2AKDM4CPDGFRBBACE1CDK2
SCHEMBL23416965 0.73 CCR1 (0.58) KDM4CPARP1P2RY6CYP3A4KDR
SCHEMBL22940779 0.73 CCR1 (0.58) ADORA2AKDM4CPARP1PDGFRBCYP3A4

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 ADORA2A 1997/4885KDM4C 3048/4885PARP1 2207/4885

“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.