SCHEMBL4149028

SCHEMBL4149028

O=C(NC1CC1)c1cc2c(C=Cc3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
CHEK1 O14757 3/20 0.46
CNR2 P34972 2/20 0.45
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
KDM5A P29375 1/20 0.38
NPC1 O15118 2/20 0.38
MCHR1 Q99705 2/20 0.38
AURKA O14965 1/20 0.37
CCR3 P51677 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
SCHEMBL4149026 1.00 KDR (0.47) KDRCHEK1CNR2WNT1DYRK1A
SCHEMBL4149353 0.87 CHEK1 (0.48) KDRCHEK1WNT1DYRK1AHPGD
SCHEMBL4149348 0.87 CHEK1 (0.48) KDRCHEK1WNT1DYRK1AHPGD
SCHEMBL4146132 0.84 CHEK1 (0.53) KDRCHEK1AURKA
SCHEMBL4146139 0.84 CHEK1 (0.53) KDRCHEK1AURKA
SCHEMBL2867207 0.81 KDR (0.48) KDRCHEK1WNT1DYRK1ARAB9A
SCHEMBL5034308 0.81 CHEK1 (0.44) KDRCHEK1AURKA
SCHEMBL4148325 0.80 KDR (0.46) KDRWNT1DYRK1AKDM5ANPC1
SCHEMBL4148330 0.80 KDR (0.46) KDRWNT1DYRK1AKDM5ANPC1
SCHEMBL13927689 0.79 CHEK1 (0.48) KDRCHEK1AURKA

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 KDR 932/4885CHEK1 952/4885CNR2 190/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885CHEK1 657/4885CNR2 191/4885

“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.