SCHEMBL4098353

SCHEMBL4098353

Cc1nc(N2CC(C(=O)O)C2)c(C#N)cc1C(=O)OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
P2RY12 Q9H244 11/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL5014112 0.94 P2RY12 (0.63) KDM4EP2RY12CYP3A4CYP2C9
SCHEMBL4099899 0.89 KMT2A (0.57) KDM4EP2RY12KMT2AALDH1A1MEN1
SCHEMBL3221673 0.87 P2RY12 (0.69) KDM4EP2RY12CYP3A4CYP2C9
SCHEMBL4878582 0.86 KDM4E (0.58) KDM4EP2RY12KMT2AALDH1A1MEN1
SCHEMBL5599344 0.85 P2RY12 (0.59) KDM4EP2RY12CYP3A4CYP2C9
SCHEMBL5062275 0.84 P2RY12 (0.80) P2RY12CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4871542 0.83 KDM4E (0.53) KDM4EP2RY12KMT2AALDH1A1MEN1
SCHEMBL4877269 0.83 P2RY12 (0.57) KDM4EP2RY12KMT2AALDH1A1CYP3A4
SCHEMBL4875331 0.82 P2RY12 (0.56) KDM4EP2RY12KMT2AALDH1A1CYP3A4
SCHEMBL5592386 0.81 P2RY12 (0.63) KDM4EP2RY12CYP3A4CYP2C9

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 8 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
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 KDM4E 3376/4885P2RY12 1/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KDM4E 2316/4885P2RY12 1/4885KMT2A 4406/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 KDM4E 1759/4885P2RY12 1/4885KMT2A 3584/4885

“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.