SCHEMBL4099899

SCHEMBL4099899

Cc1nc(N2CCC(C(=O)O)CC2)c(C#N)cc1C(=O)OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
P2RY12 Q9H244 11/20 0.55
CYP2C9 P11712 5/20 0.54
CYP3A4 P08684 3/20 0.54
CHRM2 P08172 1/20 0.54
DRD3 P35462 1/20 0.54
RXFP1 Q9HBX9 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
SCHEMBL3326387 0.91 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL4881773 0.89 KDM4E (0.72) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL4098353 0.89 KDM4E (0.59) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL3329418 0.89 P2RY12 (0.49) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL4872943 0.87 P2RY12 (0.57) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL4115190 0.87 P2RY12 (0.70) KMT2AKDM4EALDH1A1MEN1P2RY12
SCHEMBL3229339 0.84 ALDH1A1 (0.58) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL5014112 0.84 P2RY12 (0.63) KDM4EP2RY12CYP2C9CYP3A4CHRM2
SCHEMBL4103245 0.84 P2RY12 (0.59) KMT2AKDM4EALDH1A1MEN1MAPK1
SCHEMBL4737008 0.83 P2RY12 (0.58) KMT2AKDM4EALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080027103-A1 Novel Crystalline Forms 1 ASTRAZENECA AB (SE) 2008-01-31 US disclosed
WO-2008004944-A1 NOVEL CRYSTALLINE FORM II ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 KMT2A 4642/4885KDM4E 3376/4885ALDH1A1 1820/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KMT2A 4406/4885KDM4E 2316/4885ALDH1A1 1638/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 KMT2A 3584/4885KDM4E 1759/4885ALDH1A1 1274/4885

“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.