SCHEMBL5520952

SCHEMBL5520952

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 1/20 0.38
ADORA2A P29274 1/20 0.38
CACNA1G O43497 1/20 0.35
CACNA1H O95180 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
SCHEMBL5532056 0.88 CNR1 (0.42) NTRK1NTRK3NTRK2CNR1CNR2
SCHEMBL5527821 0.88 RAB9A (0.36) NTRK1NTRK3NTRK2CNR1CNR2
SCHEMBL5523202 0.87 CNR1 (0.56) NTRK1CNR1CNR2SLC16A3SLC16A1
SCHEMBL5979041 0.86 CNR1 (0.46) NTRK1NTRK3NTRK2CNR1CNR2
SCHEMBL5529835 0.86 CNR1 (0.46) NTRK1NTRK3NTRK2CNR1CNR2
SCHEMBL14362985 0.86 NTRK1 (0.42) NTRK1
SCHEMBL2914740 0.85 GRM5 (0.40) SLC16A3SLC16A1
SCHEMBL5524911 0.84 CNR1 (0.44) NTRK1NTRK3NTRK2CNR1CNR2
SCHEMBL2914146 0.84 RPA1 (0.45) SLC16A3SLC16A1
SCHEMBL13855348 0.84 ALDH1A1 (0.39) SLC16A3SLC16A1

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 3841/4885NTRK3 3639/4885NTRK2 4323/4885

“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.