SCHEMBL4144566

SCHEMBL4144566

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3cnccn3)c12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
DYRK1A Q13627 9/20 0.38
PTK2 Q05397 2/20 0.38
WNT1 P04628 8/20 0.37
SLC6A12 P48065 1/20 0.36
DRD3 P35462 1/20 0.35
ULK1 O75385 1/20 0.35
CD38 P28907 1/20 0.35

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
SCHEMBL4144561 1.00 KDR (0.44) KDRDYRK1APTK2WNT1SLC6A12
SCHEMBL4153068 0.89 KDR (0.56) KDRPTK2SLC6A12
SCHEMBL4153062 0.89 KDR (0.56) KDRPTK2SLC6A12
SCHEMBL4139780 0.87 GSK3B (0.42)
SCHEMBL4139787 0.87 GSK3B (0.42)
SCHEMBL4149106 0.85 DYRK1A (0.43) KDRDYRK1AWNT1
SCHEMBL4149101 0.85 DYRK1A (0.43) KDRDYRK1AWNT1
SCHEMBL4152735 0.85 KDR (0.39) KDRDYRK1APTK2WNT1SLC6A12
SCHEMBL4152731 0.85 KDR (0.39) KDRDYRK1APTK2WNT1SLC6A12
SCHEMBL4145309 0.85 RAB9A (0.34) 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 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 932/4885DYRK1A 228/4885PTK2 352/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885DYRK1A 258/4885PTK2 348/4885

“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.