SCHEMBL5524243

SCHEMBL5524243

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.42
CNR1 P21554 5/20 0.40
CNR2 P34972 5/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
RPA1 P27694 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 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
SCHEMBL5531732 0.91 NTRK1 (0.40) NTRK1CNR1CNR2ABCG2RPA1
SCHEMBL5526340 0.91 CNR1 (0.52) NTRK1CNR1CNR2
SCHEMBL5533931 0.89 CNR1 (0.38) NTRK1CNR1CNR2ABCG2RPA1
SCHEMBL5526491 0.88 CNR1 (0.39) NTRK1CNR1CNR2ABCG2IRAK4
SCHEMBL5524391 0.88 CNR1 (0.38) NTRK1CNR1CNR2ABCG2IRAK4
SCHEMBL5522738 0.87 CNR1 (0.41) NTRK1CNR1CNR2ABCG2RPA1
SCHEMBL5520073 0.87 CNR1 (0.37) CNR1CNR2ABCG2RPA1IRAK4
SCHEMBL5519460 0.87 CNR1 (0.41) NTRK1CNR1CNR2SLC16A3SLC16A1
SCHEMBL5512369 0.87 CNR1 (0.41) NTRK1CNR1CNR2SLC16A3SLC16A1
SCHEMBL5524350 0.86 PTGS2 (0.41) NTRK1CNR1CNR2SLC16A3SLC16A1

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 NTRK1 3841/4885CNR1 76/4885CNR2 43/4885

“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.