SCHEMBL4137530

SCHEMBL4137530

COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(Cl)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CHEK1 O14757 2/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
PTGS2 P35354 2/20 0.38
MAOB P27338 4/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
TRPA1 O75762 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4137527 1.00 KDR (0.39) KDRFNTAFNTBCHEK1CDK4
SCHEMBL4136045 0.90 TUBB4A (0.38) KDRCHEK1CDK4CCNA2CCND1
SCHEMBL4144227 0.90 NPC1 (0.44) MAOBTRPA1MAOAALDH1A1MAPT
SCHEMBL4144222 0.90 NPC1 (0.44) MAOBTRPA1MAOAALDH1A1MAPT
SCHEMBL4136051 0.90 TUBB4A (0.38) KDRCHEK1CDK4CCNA2CCND1
SCHEMBL4145366 0.90 KDR (0.44) KDRCHEK1CDK4CCND1CCND3
SCHEMBL4145369 0.90 KDR (0.44) KDRCHEK1CDK4CCND1CCND3
SCHEMBL4137384 0.89 NFE2L2 (0.38) KDRCHEK1PTGS2TRPA1ALDH1A1
SCHEMBL4137389 0.89 NFE2L2 (0.38) KDRCHEK1PTGS2TRPA1ALDH1A1
SCHEMBL4144584 0.89 PIM1 (0.40) KDRCHEK1CDK4CCNA2CCND1

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-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-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 KDR 932/4885FNTA 4332/4885FNTB 3365/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885FNTA 4348/4885FNTB 3312/4885

“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.