SCHEMBL863096

SCHEMBL863096

Cc1cc(-c2ccn[nH]2)nc(-c2ccn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 8/20 0.49
HPGDS O60760 2/20 0.47
PIM1 P11309 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 2/20 0.42
SCN4A P35499 1/20 0.42
PDPK1 O15530 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42

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 0.83 COMT (0.41) COMTHPGDSPIM1ALDH1A1NPC1
SCHEMBL863739 0.82 IDO1 (0.47) COMTALDH1A1NOTUM
SCHEMBL11983702 0.80 CCR1 (0.59) COMTHPGDSPIM1ALDH1A1NPC1
SCHEMBL27381581 0.77 NOTUM (0.59) COMTHPGDSALDH1A1NPC1RAB9A
SCHEMBL12075153 0.76 SCN4A (0.52) COMTHPGDSNPC1RAB9APOLB
SCHEMBL14833561 0.75 HPGDS (0.52) COMTHPGDSALDH1A1NPC1RAB9A
SCHEMBL21233176 0.73 COMT (0.49) COMTHPGDSPIM1ALDH1A1NPC1
SCHEMBL21814305 0.72 CCR1 (0.56) HPGDSPIM1
SCHEMBL29631977 0.72 CCR1 (0.56) COMTHPGDSPIM1ALDH1A1NPC1
SCHEMBL3068150 0.71 SCN4A (0.62) COMTHPGDSPIM1ALDH1A1NPC1

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 4 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
US-20080079358-A1 Organic electroluminescent element FUJIFILM CORPORATION 2008-04-03 US disclosed
US-20080079358-A1 Organic electroluminescent element FUJIFILM CORPORATION 2008-04-03 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 COMT 3371/4885HPGDS 1143/4885PIM1 4279/4885

“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.