SCHEMBL5518588

SCHEMBL5518588

Cc1ccc(-c2cc(C(=O)NC(C)(C)CO)nn2-c2cccnc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.66
CNR2 P34972 16/20 0.66
MARS1 P56192 2/20 0.42
NTRK1 P04629 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL5522045 0.92 CNR1 (0.55) CNR1CNR2MARS1NTRK1CYP3A4
SCHEMBL5522031 0.90 CNR1 (0.52) CNR1CNR2MARS1CYP3A4CYP2A6
SCHEMBL5978720 0.90 CNR2 (0.65) CNR1CNR2MARS1NTRK1
SCHEMBL5526175 0.82 CNR1 (0.54) CNR1CNR2MARS1
SCHEMBL4932097 0.82 MARS1 (0.53) MARS1CYP3A4CYP2A6
SCHEMBL5524832 0.81 CNR1 (0.54) CNR1CNR2MARS1NTRK1
SCHEMBL5524849 0.81 CNR1 (0.54) CNR1CNR2MARS1NTRK1
SCHEMBL4923262 0.81 CYP3A4 (0.44) CNR1CNR2MARS1CYP3A4CYP2A6
SCHEMBL5525605 0.81 CNR1 (0.53) CNR1CNR2MARS1NTRK1
SCHEMBL5522084 0.81 CNR1 (0.52) CNR1CNR2MARS1

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (1 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CNR1 76/4885CNR2 43/4885MARS1 2982/4885

“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.