SCHEMBL4145331

SCHEMBL4145331

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.42
WNT1 P04628 5/20 0.42
DRD3 P35462 3/20 0.39
POLB P06746 1/20 0.38
KDR P35968 2/20 0.38
NTRK1 P04629 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SLC6A12 P48065 1/20 0.36
PTK2 Q05397 1/20 0.36
HPGD P15428 1/20 0.35
RIPK2 O43353 1/20 0.35

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
SCHEMBL4145327 1.00 DYRK1A (0.42) DYRK1AWNT1DRD3POLBKDR
SCHEMBL4140186 0.93 TUBB1 (0.44) DYRK1ADRD3NTRK1SLC6A12PTK2
SCHEMBL4143679 0.93 DRD3 (0.42) DYRK1AWNT1DRD3POLBKDR
SCHEMBL4140190 0.93 TUBB1 (0.44) DYRK1ADRD3NTRK1SLC6A12PTK2
SCHEMBL4143682 0.93 DRD3 (0.42) DYRK1AWNT1DRD3POLBKDR
SCHEMBL5030077 0.92 DRD3 (0.38) DYRK1AWNT1DRD3KDRNTRK1
SCHEMBL5030074 0.92 DRD3 (0.38) DYRK1AWNT1DRD3KDRNTRK1
SCHEMBL4152746 0.90 DRD3 (0.47) DYRK1ADRD3NTRK1CNR1CNR2
SCHEMBL4152742 0.90 DRD3 (0.47) DYRK1ADRD3NTRK1CNR1CNR2
SCHEMBL4160447 0.88 DRD3 (0.44) DYRK1ADRD3KDRNTRK1CNR1

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 DYRK1A 228/4885WNT1 366/4885DRD3 1139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DYRK1A 258/4885WNT1 255/4885DRD3 1224/4885

“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.