SCHEMBL4154343

SCHEMBL4154343

C=CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
KDR P35968 3/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCND3 P30281 2/20 0.46
LCK P06239 1/20 0.43
FGFR1 P11362 1/20 0.43
NFE2L2 Q16236 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
MMP9 P14780 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 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
SCHEMBL4154338 1.00 CHEK1 (0.46) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4161819 0.92 TUBB1 (0.43) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4161815 0.92 TUBB1 (0.43) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4154054 0.92 BACE1 (0.40) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4154059 0.92 BACE1 (0.40) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4156220 0.88 KDM4E (0.37) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4156223 0.88 KDM4E (0.37) CHEK1CCNA2CDK2KDRCDK4
SCHEMBL4145405 0.88 KDM4E (0.48) CHEK1CCNA2CDK2KDRTDP1
SCHEMBL4145411 0.88 KDM4E (0.48) CHEK1CCNA2CDK2KDRTDP1
SCHEMBL4139933 0.87 CHEK1 (0.43) CHEK1CCNA2CDK2KDRCDK4

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 952/4885CCNA2 538/4885CDK2 176/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CCNA2 567/4885CDK2 194/4885

“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.