SCHEMBL5225780

SCHEMBL5225780

C=CCONC(=O)c1nn(-c2ccc(S(=O)(=O)NCCCC)cc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.50
CDK2 P24941 10/20 0.50
CCNA1 P78396 10/20 0.50
BRAF P15056 2/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5225572 0.87 CCNA2 (0.52) CCNA2CDK2CCNA1LMNAHTT
SCHEMBL5228732 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1BRAFLMNA
SCHEMBL5227484 0.79 CCNA2 (0.76) CCNA2CDK2CCNA1
SCHEMBL5226285 0.73 CCNA2 (0.58) CCNA2CDK2CCNA1
SCHEMBL5227393 0.72 BRAF (0.48) CCNA2CDK2CCNA1BRAF
SCHEMBL5230251 0.72 CDK2 (0.44) CCNA2CDK2CCNA1
SCHEMBL5226367 0.69 CCNA2 (0.55) CCNA2CDK2CCNA1
SCHEMBL5228506 0.69 CCNA2 (0.46) CCNA2CDK2CCNA1LMNAHTT
SCHEMBL5227507 0.68 CDK2 (0.54) CCNA2CDK2CCNA1BRAF
SCHEMBL5227172 0.68 BRAF (0.46) CCNA2CDK2CCNA1BRAFKMT2A

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 CCNA2 1338/4885CDK2 178/4885CCNA1 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.