SCHEMBL4253545

SCHEMBL4253545

O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.67
▸ CNR2 P34972 10/20 0.67
▸ CYP2C9 P11712 2/20 0.59
▸ GSK3B P49841 6/20 0.59
▸ KCNH2 Q12809 4/20 0.59
▸ CYP3A4 P08684 1/20 0.58
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ GRK2 P25098 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ EPHB3 P54753 1/20 0.50

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
SCHEMBL4253118 0.91 CNR1 (0.66) CNR1CNR2CYP2C9KDM4EMAPK10
SCHEMBL4251191 0.84 CNR1 (0.72) CNR1CNR2CYP2C9CYP3A4
SCHEMBL4256717 0.82 CNR1 (0.69) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5433264 0.81 RAB9A (0.61) CNR1CNR2GSK3BKCNH2CCNA2
SCHEMBL30068530 0.81 RAB9A (0.61) CNR1CNR2GSK3BKCNH2CCNA2
SCHEMBL5233160 0.80 CNR1 (0.79) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5164108 0.80 CNR1 (1.00) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5234776 0.80 CNR1 (0.83) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5236212 0.79 CNR1 (0.76) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5162522 0.79 CNR1 (0.76) CNR1CNR2CYP2C9KCNH2CYP3A4

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 9 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 claimed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 — — EP claimed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 — — WO claimed
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
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 — — EP 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

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-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 3/4885CYP2C9 148/4885

“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.

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