SCHEMBL3604759

SCHEMBL3604759

Brc1ccnc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
CCNB2 O95067 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
CDK5 Q00535 2/20 0.56
CDK5R1 Q15078 2/20 0.56
EGFR P00533 8/20 0.47
MAPK14 Q16539 4/20 0.47
CSF1R P07333 3/20 0.45
PRKCI P41743 1/20 0.43
RIPK1 Q13546 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
SCHEMBL20928367 0.80 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL16041244 0.80 CDC7 (0.59) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL31240593 0.80 CDC7 (0.59) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL1778024 0.80 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL1840887 0.78 AURKA (0.44) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL25145758 0.78 ADORA2A (0.54) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL4736127 0.77 AURKA (0.60) EGFRCSF1R
SCHEMBL29955037 0.76 ADORA2A (0.52) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL29957029 0.76 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL26104732 0.76 KDM5A (0.61) ADORA2AADORA1CCNB2CDK1CCNB1

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-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
WO-2008049855-A2 7-AZAINDOLE DERIVATIVES AS C-MET KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-02 WO 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-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC ADORA2A 1919/4885ADORA1 2661/4885CCNB2 620/4885

“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.