SCHEMBL4489072

SCHEMBL4489072

NC(=O)c1[nH]nc2c1CC1C(Cc3ccccc3)C21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
HCAR2 Q8TDS4 11/20 0.34
GAA P10253 1/20 0.34
UMPS P11172 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
SCHEMBL13631523 1.00 AURKA (0.36) AURKACCNA2CDK2PLK1CCNA1
SCHEMBL4480935 0.90 HCAR2 (0.38) HCAR2
SCHEMBL13631526 0.90 HCAR2 (0.38) HCAR2
SCHEMBL4560610 0.90 HCAR2 (0.38) HCAR2
SCHEMBL4483926 0.90 HCAR2 (0.38) HCAR2
SCHEMBL13631783 0.88 HCAR2 (0.37) HCAR2
SCHEMBL4478015 0.83 ALDH1A1 (0.43) AURKAHCAR2
SCHEMBL4480517 0.83 ALDH1A1 (0.43) AURKAHCAR2
SCHEMBL13631522 0.83 ALDH1A1 (0.43) AURKAHCAR2
SCHEMBL13675320 0.82 NOS1 (0.36) NOS1NOS2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 AURKA 3931/4885CCNA2 4456/4885CDK2 2675/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 AURKA 3931/4885CCNA2 4456/4885CDK2 2675/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 AURKA 3931/4885CCNA2 4456/4885CDK2 2675/4885

“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.