SCHEMBL5228034

SCHEMBL5228034

COc1ccc(-n2nc(N)c3ccc4[nH]ncc4c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
XDH P47989 1/20 0.42
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CCNA1 P78396 4/20 0.39
PDPK1 O15530 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL5228781 0.82 CCNA2 (0.54) GAAMAPTALDH1A1TRPV1CCNA2
SCHEMBL5230183 0.81 MAPT (0.46) GAAMAPTALDH1A1LMNATRPV1
SCHEMBL5230295 0.81 CCNA2 (0.53) MAPTALDH1A1TRPV1CCNA2CDK2
SCHEMBL5228539 0.80 CCNA2 (0.43) GAAMAPTALDH1A1TRPV1CCNA2
SCHEMBL5227842 0.80 CCNA2 (0.43) GAAMAPTALDH1A1TRPV1CCNA2
SCHEMBL5229147 0.79 CCNA2 (0.56) GAAMAPTALDH1A1LMNATRPV1
SCHEMBL5225978 0.79 CDK2 (0.42) MAPTTRPV1CCNA2CDK2CCNA1
SCHEMBL5228553 0.78 CDK2 (0.44) GAAMAPTALDH1A1TRPV1CCNA2
SCHEMBL12886440 0.78 CDK2 (0.46) ALDH1A1TRPV1CCNA2CDK2CCNA1
SCHEMBL5225870 0.78 CDK2 (0.56) ALDH1A1TRPV1CCNA2CDK2CCNA1

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 8 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-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP claimed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 WO 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
EP-1478357-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP disclosed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 GAA 989/4885MAPT 41/4885ALDH1A1 4396/4885

“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.