SCHEMBL4162191

SCHEMBL4162191

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3cccc(O)n3)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
SLC6A12 P48065 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
DRD3 P35462 1/20 0.39
PTK2 Q05397 2/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
TGFBR1 P36897 1/20 0.36
DRD4 P21917 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
TEK Q02763 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4162185 1.00 KDR (0.42) KDRSLC6A12TAS1R3TAS1R1TAS1R2
SCHEMBL4153062 0.87 KDR (0.56) KDRSLC6A12PTK2CNR1CNR2
SCHEMBL4153068 0.87 KDR (0.56) KDRSLC6A12PTK2CNR1CNR2
SCHEMBL4145120 0.86 KDR (0.34) KDRAURKAMETTEKHSD17B10
SCHEMBL4145116 0.86 KDR (0.34) KDRAURKAMETTEKHSD17B10
SCHEMBL4145364 0.85 PIM1 (0.36) KDR
SCHEMBL4145370 0.85 PIM1 (0.36) KDR
SCHEMBL4140651 0.84 KDM4E (0.46) KDRSLC6A12DRD3PTK2CNR1
SCHEMBL4140646 0.84 KDM4E (0.46) KDRSLC6A12DRD3PTK2CNR1
SCHEMBL4142437 0.82 MCHR1 (0.44) KDRSLC6A12DRD3DRD4AURKA

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 932/4885SLC6A12 4548/4885TAS1R3 2831/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885SLC6A12 4640/4885TAS1R3 2659/4885

“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.