SCHEMBL1470187

SCHEMBL1470187

COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cccc(C(=O)OC)c21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.64
ITK Q08881 2/20 0.56
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53

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
SCHEMBL1468543 0.93 ADORA2A (0.64) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL1468382 0.92 ADORA2A (0.70) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL12744889 0.90 ADORA2A (0.71) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL1468305 0.87 ADORA2A (0.75) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL12744880 0.87 ADORA2A (0.74) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL8234780 0.87 ADORA2A (0.50) ADORA2AOPRK1
SCHEMBL1468374 0.86 ADORA2A (0.73) ADORA2AITKOPRM1OPRD1OPRK1
SCHEMBL1467481 0.84 ADORA2A (0.80) ADORA2AITK
SCHEMBL4589978 0.82 ADORA2A (0.85) ADORA2A
SCHEMBL8233527 0.80 ADORA2A (0.54) ADORA2A

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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 WO 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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ITK 3370/4885OPRM1 594/4885

“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.