SCHEMBL4160447

SCHEMBL4160447

COc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3cccc(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
DYRK1A Q13627 3/20 0.43
NTRK1 P04629 3/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
ATM Q13315 1/20 0.40
SLC6A12 P48065 1/20 0.40
KDR P35968 2/20 0.39
CCR3 P51677 1/20 0.39
HPGD P15428 1/20 0.38
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL4160452 1.00 DRD3 (0.44) DRD3DYRK1ANTRK1CNR1CNR2
SCHEMBL4142437 0.90 MCHR1 (0.44) DRD3SLC6A12KDRCHEK1CDK1
SCHEMBL4142435 0.90 MCHR1 (0.44) DRD3SLC6A12KDRCHEK1CDK1
SCHEMBL4152746 0.89 DRD3 (0.47) DRD3DYRK1ANTRK1CNR1CNR2
SCHEMBL4152742 0.89 DRD3 (0.47) DRD3DYRK1ANTRK1CNR1CNR2
SCHEMBL4140646 0.89 KDM4E (0.46) DRD3DYRK1ACNR1CNR2SLC6A12
SCHEMBL4140651 0.89 KDM4E (0.46) DRD3DYRK1ACNR1CNR2SLC6A12
SCHEMBL4156418 0.89 SMYD3 (0.40) DRD3CNR1CNR2SLC6A12KDR
SCHEMBL4156424 0.89 SMYD3 (0.40) DRD3CNR1CNR2SLC6A12KDR
SCHEMBL4145331 0.88 DYRK1A (0.42) DRD3DYRK1ANTRK1CNR1CNR2

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 9 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 DRD3 1139/4885DYRK1A 228/4885NTRK1 922/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885DYRK1A 258/4885NTRK1 897/4885

“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.