SCHEMBL4152735

SCHEMBL4152735

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccncc3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.39
SLC6A12 P48065 1/20 0.39
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTK2 Q05397 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 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
SCHEMBL4152731 1.00 KDR (0.39) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4140651 0.91 KDM4E (0.46) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4140646 0.91 KDM4E (0.46) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4137449 0.90 CYP3A4 (0.40) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4144114 0.90 NPSR1 (0.44) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4144118 0.90 NPSR1 (0.44) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4137445 0.90 CYP3A4 (0.40) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4143656 0.89 SLC6A12 (0.40) KDRSLC6A12DRD3KDM4EALDH1A1
SCHEMBL4152742 0.89 DRD3 (0.47) SLC6A12DRD3DYRK1A
SCHEMBL4145155 0.89 USP2 (0.41) KDRSLC6A12DRD3KDM4EALDH1A1

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 4548/4885DRD3 1139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885SLC6A12 4640/4885DRD3 1224/4885

“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.