SCHEMBL4144543

SCHEMBL4144543

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCNA2 P20248 2/20 0.43
CCND1 P24385 2/20 0.43
CDK2 P24941 2/20 0.43
CCND3 P30281 2/20 0.43
NFE2L2 Q16236 6/20 0.42
RELA Q04206 1/20 0.41
AKR1C2 P52895 1/20 0.40
PTGS1 P23219 2/20 0.40
POLB P06746 1/20 0.39
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL4144540 1.00 CHEK1 (0.43) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4141785 0.91 CHEK1 (0.42) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4141789 0.91 CHEK1 (0.42) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4144844 0.88 CHEK1 (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4144842 0.88 CHEK1 (0.48) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4151412 0.88 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4151409 0.88 CHEK1 (0.40) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4145369 0.88 KDR (0.44) CHEK1CDK4CCND1CCND3POLB
SCHEMBL4145366 0.88 KDR (0.44) CHEK1CDK4CCND1CCND3POLB
SCHEMBL4137389 0.87 NFE2L2 (0.38) CHEK1NFE2L2PTGS2KMT2ANPC1

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 CHEK1 952/4885CDK1 191/4885CDK4 256/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK1 180/4885CDK4 260/4885

“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.