SCHEMBL4153491

SCHEMBL4153491

O=C(O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 1/20 0.43
ECE1 P42892 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP2K4 P45985 3/20 0.42
MAPK1 P28482 2/20 0.42
MAPKAPK3 Q16644 2/20 0.42
MAPK6 Q16659 2/20 0.42
MGAM O43451 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
MAP4K1 Q92918 3/20 0.40
ACMSD Q8TDX5 1/20 0.40
ALPL P05186 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL4148422 0.81 MAPK8 (0.43) KDRMAP4K1MAPK8
SCHEMBL4149599 0.81 MAP2K4 (0.52) MAP2K4MAPK1MAPKAPK3MAPK6MAP4K1
SCHEMBL13927652 0.80 MTNR1A (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4151243 0.80 CA12 (0.47) CA12CDK4CCNA2CCND1CDK2
SCHEMBL4157728 0.78 GABRP (0.49) CA12CDK4CCNA2CCND1CDK2
SCHEMBL4145182 0.78 MAPKAPK2 (0.49) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4137865 0.78 MAPKAPK2 (0.44) CA12CDK4CCNA2CCND1CDK2
SCHEMBL4136721 0.78 MAPK8 (0.50) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2855850 0.77 MAP2K4 (0.59) CA12CDK4CCNA2CCND1CDK2
SCHEMBL13927653 0.77 CNR1 (0.44) CDK4CCNA2CCND1CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CA12 2541/4885CDK4 256/4885CCNA2 538/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CA12 2296/4885CDK4 260/4885CCNA2 567/4885

“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.