SCHEMBL5528601

SCHEMBL5528601

COc1ccc(-n2nc(C(=O)N(C)CC#N)cc2-c2ccc(C)cn2)nn1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.37
OXTR P30559 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
AVPR1A P37288 2/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL5525755 0.90 ALDH1A1 (0.37) TSPOOXTRALDH1A1TSHRAVPR1A
SCHEMBL5529681 0.87 MALT1 (0.38) TSPOOXTRALDH1A1TSHRAVPR1A
SCHEMBL5530217 0.86 ALDH1A1 (0.35) TSPOOXTRALDH1A1TSHRAVPR1A
SCHEMBL5528138 0.85 ALDH1A1 (0.35) TSPOOXTRALDH1A1TSHRAVPR1A
SCHEMBL5525424 0.84 TDP1 (0.38) OXTRALDH1A1TSHRAVPR1AALOX5
SCHEMBL5525761 0.84 OXTR (0.42) OXTRALDH1A1TSHRAVPR1A
SCHEMBL5529157 0.83 ALDH1A1 (0.34) TSPOOXTRALDH1A1TSHRAVPR1A
SCHEMBL5265509 0.82 ALDH1A1 (0.41) ALDH1A1TSHRALOX5
SCHEMBL5527560 0.81 ALDH1A1 (0.35) OXTRALDH1A1TSHRAVPR1AALOX5
SCHEMBL5267019 0.80 CA9 (0.42) ALDH1A1TSHR

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 TSPO 2452/4885OXTR 1114/4885ALDH1A1 171/4885

“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.