SCHEMBL5031209

SCHEMBL5031209

COc1c(C(=O)N[C@@H](C)C(N)=O)ccc2[nH]nc(/C=C/c3cccc(C(C)=O)c3)c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
KDR P35968 15/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FGFR1 P11362 4/20 0.36
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL13927719 1.00 CHEK1 (0.38) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5029929 0.90 HPGDS (0.33) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL13927724 0.90 HPGDS (0.33) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5030047 0.89 CHEK1 (0.37) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5032380 0.89 CHEK1 (0.37) CHEK1KDRKMT2ANPC1RAB9A
SCHEMBL5027609 0.89 KDR (0.37) CHEK1KDRFGFR1NPC1POLB
SCHEMBL13927710 0.89 KDR (0.37) CHEK1KDRFGFR1NPC1POLB
SCHEMBL13927717 0.87 CHEK1 (0.37) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5032382 0.87 CHEK1 (0.37) CHEK1KDRALDH1A1MEN1KMT2A
SCHEMBL5030209 0.86 CAPN1 (0.45) KDR

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 1044/4885ALDH1A1 2713/4885

“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.