SCHEMBL4145452

SCHEMBL4145452

CCCNC(=O)CNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
CNR2 P34972 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
RCE1 Q9Y256 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL4145465 1.00 KCNA3 (0.40) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4141221 0.95 DRD2 (0.37) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4141204 0.95 DRD2 (0.37) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4145998 0.93 KDM4E (0.37) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4145975 0.93 KDM4E (0.37) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4150244 0.90 POLB (0.40) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4150256 0.90 POLB (0.40) KCNA3KDM4ESMN1; SMN2ALDH1A1DRD3
SCHEMBL4139682 0.88 DRD3 (0.35) KCNA3KDM4ESMN1; SMN2DRD3DRD2
SCHEMBL13927848 0.88 DRD3 (0.35) KCNA3KDM4ESMN1; SMN2DRD3DRD2
SCHEMBL13927857 0.88 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTRCE1

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 7 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 KCNA3 1044/4885KDM4E 2622/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KCNA3 1086/4885KDM4E 2795/4885SMN1; SMN2 3772/4885

“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.