SCHEMBL5525005

SCHEMBL5525005

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccccn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.44
CNR2 P34972 5/20 0.44
SLC16A3 O15427 2/20 0.41
NTRK1 P04629 1/20 0.40
F2 P00734 2/20 0.40
KLKB1 P03952 1/20 0.40
HPGDS O60760 1/20 0.39
F12 P00748 1/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA2A P29274 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RPA1 P27694 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
SCHEMBL5519738 0.86 CNR1 (0.42) CNR1CNR2SLC16A3NTRK1SLC16A1
SCHEMBL2918169 0.86 RPA1 (0.52) SLC16A3NTRK1F2KLKB1F12
SCHEMBL5532056 0.85 CNR1 (0.42) CNR1CNR2SLC16A3NTRK1RXFP1
SCHEMBL5524243 0.80 NTRK1 (0.42) CNR1CNR2SLC16A3NTRK1RPA1
SCHEMBL5522538 0.80 CNR1 (0.49) CNR1CNR2SLC16A3HPGDSNPC1
SCHEMBL2916364 0.79 MGLL (0.46) NTRK1F2F12NPC1PKM
SCHEMBL5533912 0.79 CNR1 (0.51) CNR1CNR2SLC16A3PKM
SCHEMBL5524835 0.78 CNR1 (0.50) CNR1CNR2SLC16A3SLC16A1
SCHEMBL5522472 0.78 CNR1 (0.39) CNR1CNR2SLC16A3NTRK1MAPT
SCHEMBL5519460 0.77 CNR1 (0.41) CNR1CNR2SLC16A3NTRK1SLC16A1

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 4 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
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 43/4885SLC16A3 4708/4885

“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.