SCHEMBL4115267

SCHEMBL4115267

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.55
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3933313 0.93 P2RY12 (0.64) P2RY12KDM4ECYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL5265543 0.91 P2RY12 (0.51) P2RY12KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL4877982 0.91 KDM4E (0.58) P2RY12KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL4878271 0.87 KDM4E (0.54) P2RY12KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL4098247 0.87 KDM4E (0.53) P2RY12KDM4EKMT2AALDH1A1
SCHEMBL4097876 0.84 P2RY12 (0.63) P2RY12KDM4EKMT2ACYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4264295 0.83 P2RY12 (0.43) P2RY12KDM4ECYP3A4CYP2C9
SCHEMBL4877269 0.83 P2RY12 (0.57) P2RY12KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL4099776 0.81 P2RY12 (0.54) P2RY12KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL5014008 0.80 P2RY12 (0.62) P2RY12KDM4ECYP3A4CYP2C9

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 4 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
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP 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 (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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 3376/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885KDM4E 2316/4885KMT2A 4406/4885

“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.