SCHEMBL5521163

SCHEMBL5521163

CCN(C)C(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 8/20 0.45
AVPR1A P37288 4/20 0.45
RPA1 P27694 1/20 0.37
MALT1 Q9UDY8 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM1A O60341 5/20 0.33
AVPR2 P30518 1/20 0.33
SMO Q99835 1/20 0.33
ADORA2A P29274 2/20 0.33
MAPKAPK2 P49137 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
SCHEMBL5525761 0.88 OXTR (0.42) OXTRAVPR1ARPA1SCN9AADORA2A
SCHEMBL5519940 0.88 RPA1 (0.38) OXTRAVPR1ARPA1MALT1KDM1A
SCHEMBL5525538 0.88 OXTR (0.36) OXTRAVPR1ARPA1MALT1AVPR2
SCHEMBL5524918 0.86 RPA1 (0.47) OXTRAVPR1ARPA1SCN9A
SCHEMBL5524300 0.85 CYP11B1 (0.37) OXTRAVPR1AMALT1AVPR2SMO
SCHEMBL5521042 0.85 OXTR (0.42) OXTRAVPR1A
SCHEMBL5522108 0.84 OXTR (0.39) OXTRAVPR1AMALT1AVPR2SMO
SCHEMBL5531773 0.84 OXTR (0.39) OXTRAVPR1ARPA1MALT1AVPR2
SCHEMBL5527852 0.83 OXTR (0.36) OXTRAVPR1AMALT1AVPR2SMO
SCHEMBL5522027 0.83 OXTR (0.39) OXTRAVPR1ARPA1MALT1AVPR2

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 3 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
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 OXTR 1114/4885AVPR1A 2308/4885RPA1 1661/4885

“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.