SCHEMBL2443052

SCHEMBL2443052

COc1cccnc1-c1cn[c]nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PLAU P00749 1/20 0.35
ALOX5AP P20292 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GRM5 P41594 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
PDE10A Q9Y233 3/20 0.33
PDE5A O76074 2/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CCR9 P51686 1/20 0.33
CBFB Q13951 1/20 0.33
S100A4 P26447 1/20 0.33
AURKA O14965 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI3 Q9ULW8 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
SCHEMBL2439327 0.81 CYP2A6 (0.45)
SCHEMBL16826104 0.74
SCHEMBL558026 0.74 PLAU (0.37) CCNT1CDK9PLAUPDGFRBPDGFRA
SCHEMBL29894839 0.73 CA1 (0.50) PLAUPDGFRBPDGFRAGRM5ASIC3
SCHEMBL5702570 0.73 CA1 (0.50) PLAUPDGFRBPDGFRAGRM5ASIC3
SCHEMBL11569504 0.73 CCNT1 (0.39) CCNT1CDK9PLAUALOX5APPDGFRB
SCHEMBL28044194 0.72 ALDH1A1 (0.58) PDE5AS100A4AURKAHKDC1PADI1
SCHEMBL24501220 0.70 CCNT1 (0.39) CCNT1CDK9PLAUALOX5APPDGFRB
SCHEMBL558255 0.69
SCHEMBL15674315 0.69 KDM4E (0.43) CCNT1CDK9PLAUGRM5ASIC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR CCNT1 3959/4885CDK9 4261/4885PLAU 2760/4885

“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.