SCHEMBL4142437

SCHEMBL4142437

COc1cccc(C=Cc2n[nH]c3ccc(C(=O)NC4CC4)c(OC)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
CHEK1 O14757 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
DRD4 P21917 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KDR P35968 3/20 0.40
SLC6A12 P48065 1/20 0.40
AURKA O14965 1/20 0.40
MET P08581 1/20 0.40
TEK Q02763 1/20 0.40
HTR4 Q13639 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL4142435 1.00 MCHR1 (0.44) MCHR1CHEK1CDK1CDK4CCNA2
SCHEMBL4160452 0.90 DRD3 (0.44) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4160447 0.90 DRD3 (0.44) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4140651 0.90 KDM4E (0.46) MCHR1CHEK1KDRSLC6A12DRD3
SCHEMBL4140646 0.90 KDM4E (0.46) MCHR1CHEK1KDRSLC6A12DRD3
SCHEMBL4156418 0.89 SMYD3 (0.40) MCHR1CHEK1KDRSLC6A12DRD3
SCHEMBL4156424 0.89 SMYD3 (0.40) MCHR1CHEK1KDRSLC6A12DRD3
SCHEMBL4144114 0.89 NPSR1 (0.44) MCHR1DRD4PDE4BKDRSLC6A12
SCHEMBL4144118 0.89 NPSR1 (0.44) MCHR1DRD4PDE4BKDRSLC6A12
SCHEMBL4145539 0.89 SLC6A12 (0.44) DRD4KDRSLC6A12AURKADRD3

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 MCHR1 2657/4885CHEK1 952/4885CDK1 191/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MCHR1 2850/4885CHEK1 657/4885CDK1 180/4885

“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.