SCHEMBL4254640

SCHEMBL4254640

Nc1cccnc1C(=O)NCC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.58
CNR2 P34972 13/20 0.58
P2RX7 Q99572 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46

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
SCHEMBL5159142 0.96 CNR1 (0.57) CNR1CNR2P2RX7ADORA2AADORA1
SCHEMBL4253583 0.89 CNR1 (0.60) CNR1CNR2
SCHEMBL30131489 0.83 P2RX7 (0.58) CNR1CNR2P2RX7
SCHEMBL14284345 0.81 CNR1 (0.58) CNR1CNR2P2RX7
SCHEMBL5231512 0.77 HCRTR2 (0.49) CNR1CNR2PIM1PIM3
SCHEMBL6172165 0.76 GRM4 (0.50) P2RX7PIM1PIM3
SCHEMBL4968777 0.75 POLB (0.65) CNR1CNR2P2RX7
SCHEMBL5233590 0.75 CNR1 (0.75) CNR1CNR2
SCHEMBL27212635 0.75 GRM4 (0.55) P2RX7PIM1PIM3
SCHEMBL5239059 0.75 PIM1 (0.49) PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
CN-101336238-A Novel bicyclic carbonylaminopyridine-2-carboxamides or 3-bicyclic carbonylaminopyrazine-2-carboxamides ASTRAZENECA AB (SE) 2008-12-31 CN disclosed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 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 (2 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-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 CNR1 14/4885CNR2 3/4885P2RX7 564/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CNR1 6/4885CNR2 11/4885P2RX7 13/4885

“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.