SCHEMBL5229894

SCHEMBL5229894

NC(=O)c1nn(-c2cccnc2)c2c1ccc1[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.53
CDK2 P24941 13/20 0.53
CCNA1 P78396 13/20 0.53
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
SCN9A Q15858 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
SARM1 Q6SZW1 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
SIRT4 Q9Y6E7 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5229177 0.89 CCNA2 (0.50) CCNA2CDK2CCNA1MAPTCASP1
SCHEMBL5227704 0.83 CDK2 (0.53) CCNA2CDK2CCNA1KMT2A
SCHEMBL5225569 0.82 CCNA2 (0.52) CCNA2CDK2CCNA1
SCHEMBL5230469 0.82 CDK2 (0.52) CCNA2CDK2CCNA1
SCHEMBL5227808 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1F10SCN9A
SCHEMBL5230705 0.82 CDK2 (0.52) CCNA2CDK2CCNA1F10SCN9A
SCHEMBL5230389 0.82 CCNA2 (0.54) CCNA2CDK2CCNA1
SCHEMBL5226943 0.82 CDK2 (0.54) CCNA2CDK2CCNA1HTR1ADRD2
SCHEMBL5230050 0.81 CCNA2 (0.42) CCNA2CDK2CCNA1SCN9AMETAP2
SCHEMBL5225603 0.80 CCNA2 (0.53) CCNA2CDK2CCNA1HTR1ADRD2

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
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
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 (2 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
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 CCNA2 1285/4885CDK2 171/4885CCNA1 382/4885

“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.