SCHEMBL5031135

SCHEMBL5031135

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(/C=C/c3ccncc3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.34
KDR P35968 3/20 0.33
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCND3 P30281 2/20 0.32
TTK P33981 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSB P07858 1/20 0.32
HPGDS O60760 2/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL13927727 1.00 CHEK1 (0.34) CHEK1KDRCCNA2CDK2CDK1
SCHEMBL13927710 0.91 KDR (0.37) CHEK1KDRCAPN1CTSBNPC1
SCHEMBL5027609 0.91 KDR (0.37) CHEK1KDRCAPN1CTSBNPC1
SCHEMBL5030055 0.91 KDR (0.35) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL5034366 0.91 KDR (0.33) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL5030122 0.90 KDR (0.36) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL5034298 0.90 SCN9A (0.36) CHEK1KDRCCNA2CDK2CAPN1
SCHEMBL13927724 0.89 HPGDS (0.33) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL5029929 0.89 HPGDS (0.33) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL5029996 0.88 CAPN1 (0.38) CHEK1KDRCCNA2CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885KDR 1044/4885CCNA2 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.