SCHEMBL5532056

SCHEMBL5532056

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2ccccn2)nn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 1/20 0.38
NTRK1 P04629 6/20 0.36
ATM Q13315 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 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
SCHEMBL5523202 0.91 CNR1 (0.56) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL5979041 0.90 CNR1 (0.46) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL5529835 0.90 CNR1 (0.46) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL5520952 0.88 NTRK1 (0.42) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL5524911 0.88 CNR1 (0.44) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL5525851 0.88 ALOX5 (0.37) CNR1CNR2ANO1TSHRALDH1A1
SCHEMBL5524868 0.87 MEN1 (0.36) CNR1CNR2TSHRALDH1A1L3MBTL1
SCHEMBL5519738 0.87 CNR1 (0.42) CNR1CNR2SLC16A3SLC16A1NTRK1
SCHEMBL2914740 0.86 GRM5 (0.40) SLC16A3SLC16A1TSHRALDH1A1HSD17B10
SCHEMBL2914146 0.85 RPA1 (0.45) SLC16A3SLC16A1TSHRALDH1A1

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.