SCHEMBL5029929

SCHEMBL5029929

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)cc3)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.33
APP P05067 1/20 0.32
KDR P35968 8/20 0.32
CHEK1 O14757 3/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
BMPR1B O00238 1/20 0.32
PLK4 O00444 1/20 0.32
STK25 O00506 1/20 0.32
CIT O14578 1/20 0.32
RIOK3 O14730 1/20 0.32
IKBKB O14920 1/20 0.32
AURKA O14965 1/20 0.32
GAK O14976 1/20 0.32
DCLK1 O15075 1/20 0.32
CHUK O15111 1/20 0.32
MUSK O15146 1/20 0.32
EPHB6 O15197 1/20 0.32

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
SCHEMBL13927724 1.00 HPGDS (0.33) HPGDSAPPKDRCHEK1CCNA2
SCHEMBL5030055 0.91 KDR (0.35) HPGDSKDRCHEK1CCNA2CDK2
SCHEMBL5034366 0.91 KDR (0.33) HPGDSKDRCHEK1CCNA2CDK2
SCHEMBL5034298 0.90 SCN9A (0.36) HPGDSKDRCHEK1CCNA2CDK2
SCHEMBL5030122 0.90 KDR (0.36) KDRCHEK1CCNA2CDK2CDK4
SCHEMBL13927710 0.90 KDR (0.37) KDRCHEK1AURKAFGFR1AURKB
SCHEMBL5027609 0.90 KDR (0.37) KDRCHEK1AURKAFGFR1AURKB
SCHEMBL5031209 0.90 CHEK1 (0.38) KDRCHEK1FGFR1ALDH1A1MEN1
SCHEMBL13927719 0.90 CHEK1 (0.38) KDRCHEK1FGFR1ALDH1A1MEN1
SCHEMBL13927727 0.89 CHEK1 (0.34) HPGDSKDRCHEK1CCNA2CDK2

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 HPGDS 3567/4885APP 4411/4885KDR 1044/4885

“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.