SCHEMBL4136791

SCHEMBL4136791

COc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3ccc(F)cc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
NTRK1 P04629 1/20 0.42
DYRK1A Q13627 4/20 0.42
CNR1 P21554 7/20 0.40
CNR2 P34972 7/20 0.40
HPGD P15428 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CCR3 P51677 1/20 0.39
ATM Q13315 1/20 0.38
SLC6A12 P48065 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
SCHEMBL4136798 1.00 DRD3 (0.42) DRD3NTRK1DYRK1ACNR1CNR2
SCHEMBL4153467 0.89 DRD3 (0.42) DRD3DYRK1ACNR1CNR2CCR3
SCHEMBL4153464 0.89 DRD3 (0.42) DRD3DYRK1ACNR1CNR2CCR3
SCHEMBL4152746 0.87 DRD3 (0.47) DRD3NTRK1DYRK1ACNR1CNR2
SCHEMBL4152742 0.87 DRD3 (0.47) DRD3NTRK1DYRK1ACNR1CNR2
SCHEMBL4153969 0.87 GSK3B (0.40) DYRK1A
SCHEMBL4153956 0.87 GSK3B (0.40) DYRK1A
SCHEMBL4160447 0.86 DRD3 (0.44) DRD3NTRK1DYRK1ACNR1CNR2
SCHEMBL4160452 0.86 DRD3 (0.44) DRD3NTRK1DYRK1ACNR1CNR2
SCHEMBL4159420 0.85 CHEK1 (0.36)

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 DRD3 1139/4885NTRK1 922/4885DYRK1A 228/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885NTRK1 897/4885DYRK1A 258/4885

“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.