SCHEMBL5225870

SCHEMBL5225870

COc1ccc(-n2nc(C(=O)NO)c3ccc4[nH]ncc4c32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.56
CCNA2 P20248 7/20 0.56
CCNA1 P78396 7/20 0.56
SCN9A Q15858 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FLT3 P36888 1/20 0.40
ABCB1 P08183 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL12886440 0.91 CDK2 (0.46) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5229147 0.90 CCNA2 (0.56) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5231857 0.89 CCNA2 (0.46) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5230295 0.88 CCNA2 (0.53) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5228553 0.87 CDK2 (0.44) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5228781 0.87 CCNA2 (0.54) CDK2CCNA2CCNA1SCN9ATRPV1
SCHEMBL5229613 0.83 CCNA2 (0.57) CDK2CCNA2CCNA1TRPV1ALDH1A1
SCHEMBL5228539 0.80 CCNA2 (0.43) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5227842 0.80 CCNA2 (0.43) CDK2CCNA2CCNA1TRPV1L3MBTL1
SCHEMBL5225978 0.79 CDK2 (0.42) CDK2CCNA2CCNA1TRPV1L3MBTL1

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
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP claimed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 US claimed
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP disclosed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 CDK2 178/4885CCNA2 1338/4885CCNA1 1187/4885

“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.