SCHEMBL3936294

SCHEMBL3936294

CCOC(=O)c1cc(C#N)c(NC2CCC(C(=O)NS(=O)(=O)CCc3ccccc3)C2)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.59
ALDH1A1 P00352 3/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3941792 0.93 P2RY12 (0.58) P2RY12ALDH1A1CHRM2CYP3A4CYP2C9
SCHEMBL3930786 0.90 P2RY12 (0.47) P2RY12ALDH1A1CHRM2CYP3A4CYP2C9
SCHEMBL3930016 0.83 KDM4E (0.59) P2RY12ALDH1A1KDM4EMAPT
SCHEMBL4173356 0.83 P2RY12 (0.69) P2RY12ALDH1A1CHRM2CYP3A4CYP2C9
SCHEMBL3930910 0.82 P2RY12 (0.57) P2RY12ALDH1A1CHRM2CYP3A4CYP2C9
SCHEMBL4356065 0.82 ALDH1A1 (0.55) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL4365314 0.81 P2RY12 (0.64) P2RY12ALDH1A1KDM4EMAPT
SCHEMBL3936151 0.78 P2RY12 (0.56) P2RY12ALDH1A1KDM4EMAPT
SCHEMBL4351349 0.77 P2RY12 (0.59) P2RY12ALDH1A1KDM4EMAPT
SCHEMBL3590489 0.76 P2RY12 (0.82) P2RY12CHRM2CYP3A4CYP2C9DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286834-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2009-11-19 US claimed
US-20080045494-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2008-02-21 US claimed
US-20090286834-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2044024-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-08 EP disclosed
US-20080045494-A1 Pyridine Analogues VI ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2008004943-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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-20080045494-A1 Pyridine Analogues VI P2RY12, P2RY6, P2RY11 P2RY12 1/4885ALDH1A1 1604/4885CHRM2 463/4885
US-20090286834-A1 Pyridine Analogues VI P2RY12, P2RY6, P2RY11 P2RY12 1/4885ALDH1A1 1888/4885CHRM2 292/4885

“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.