SCHEMBL4099131

SCHEMBL4099131

CCc1cnc(-c2cc(C#N)c(N3CC(NC(=O)O)C3)nc2C)o1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 13/20 0.61
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4099706 0.90 P2RY12 (0.66) P2RY12KDM4EALDH1A1KMT2AMEN1
SCHEMBL4118941 0.89 P2RY12 (0.56) P2RY12KDM4E
SCHEMBL4110667 0.85 P2RY12 (0.61) P2RY12CYP3A4CYP2C9
SCHEMBL4103151 0.83 P2RY12 (0.57) P2RY12KDM4EALDH1A1KMT2AMEN1
SCHEMBL4105701 0.83 P2RY12 (0.54) P2RY12KDM4EALDH1A1KMT2AMEN1
SCHEMBL4104025 0.82 P2RY12 (0.82) P2RY12CYP3A4CYP2C9
SCHEMBL4112806 0.81 P2RY12 (0.42) P2RY12
SCHEMBL4878088 0.80 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL4104931 0.77 P2RY12 (0.52) P2RY12KDM4EKMT2AMEN1
SCHEMBL4112559 0.76 P2RY12 (1.00) P2RY12CYP3A4CYP2C9

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 2 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

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 3376/4885ALDH1A1 1820/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885KDM4E 2316/4885ALDH1A1 1638/4885

“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.