SCHEMBL317418

SCHEMBL317418

O=C(O)c1cc(OC2CCCC2)cc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.51
GRM5 P41594 3/20 0.46
ADORA1 P30542 5/20 0.45
ADORA2A P29274 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
KMO O15229 2/20 0.43
P2RY12 Q9H244 2/20 0.42

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
SCHEMBL2907018 0.85 MCL1 (0.50) MCL1P2RY12
SCHEMBL1201785 0.84 GRM5 (0.50) MCL1GRM5P2RY12
SCHEMBL317468 0.79 GRM5 (0.48) GRM5ADORA1ADORA2AADORA3
SCHEMBL1111184 0.77 MCL1 (0.64) MCL1ADORA3
SCHEMBL986309 0.77 USP30 (0.47) MCL1P2RY12
SCHEMBL2578647 0.76 ADORA2A (0.43) ADORA1ADORA2AADORA3KMOP2RY12
SCHEMBL2587393 0.75 ADORA2A (0.44) ADORA1ADORA2AADORA3KMOP2RY12
SCHEMBL17379469 0.74 GRM5 (0.62) GRM5
SCHEMBL4271936 0.73 NPC1 (0.55) MCL1KMOP2RY12
SCHEMBL15964704 0.73 OPRK1 (0.47) GRM5KMO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 MCL1 3193/4885GRM5 558/4885ADORA1 29/4885

“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.