SCHEMBL4145979

SCHEMBL4145979

CCNC(=O)NC.COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.35
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TRPA1 O75762 1/20 0.32
KDR P35968 2/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
AURKA O14965 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CTSL P07711 2/20 0.31
AURKB Q96GD4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NTRK1 P04629 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4145455 0.93 KCNA3 (0.35) MAPK1POLBDRD2DRD4DRD3
SCHEMBL4150248 0.93 POLB (0.35) MAPK1POLBDRD2DRD4DRD3
SCHEMBL4141208 0.91 DRD2 (0.36) MAPK1POLBDRD2DRD4DRD3
SCHEMBL4137389 0.89 NFE2L2 (0.38) TRPA1KDRCHEK1CTSLSMN1; SMN2
SCHEMBL4137384 0.89 NFE2L2 (0.38) TRPA1KDRCHEK1CTSLSMN1; SMN2
SCHEMBL4148215 0.88 POLB (0.35) POLBDRD2DRD4DRD3TRPA1
SCHEMBL4153616 0.87 MAOA (0.38) POLBDRD2DRD4DRD3TRPA1
SCHEMBL4139706 0.86 CCR3 (0.36) DRD2DRD4DRD3NTRK1FAAH
SCHEMBL4144223 0.85 MAOA (0.35) POLBDRD2DRD4DRD3TRPA1
SCHEMBL4157510 0.84 CNR1 (0.37) POLBDRD3SMN1; SMN2KDM4EMAPT

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 MAPK1 7/4885POLB 2798/4885DRD2 1343/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885POLB 2534/4885DRD2 1517/4885

“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.