SCHEMBL4136738

SCHEMBL4136738

COc1c(C(=O)O)ccc2[nH]nc(C=Cc3cccc(CO)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.43
AURKB Q96GD4 7/20 0.43
APEX1 P27695 2/20 0.37
KDR P35968 5/20 0.36
CHEK1 O14757 2/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
FGFR1 P11362 1/20 0.35
MAP2K4 P45985 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
SCHEMBL4136733 1.00 AURKA (0.43) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4144551 0.91 AURKA (0.42) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4144461 0.91 AURKA (0.42) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4144465 0.91 AURKA (0.42) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4144556 0.91 AURKA (0.42) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4143268 0.88 APEX1 (0.45) AURKAAURKBAPEX1KDRFGFR1
SCHEMBL4143265 0.88 APEX1 (0.45) AURKAAURKBAPEX1KDRFGFR1
SCHEMBL4143646 0.88 AURKA (0.36) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4143648 0.88 AURKA (0.36) AURKAAURKBAPEX1KDRCHEK1
SCHEMBL4144844 0.87 CHEK1 (0.48) APEX1KDRCHEK1CDK1CDK4

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
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-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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B AURKA 726/4885AURKB 608/4885APEX1 4097/4885

“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.