SCHEMBL4881773

SCHEMBL4881773

COC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
KMT2A Q03164 3/20 0.72
ALDH1A1 P00352 3/20 0.71
P2RY12 Q9H244 11/20 0.59
CYP2C9 P11712 5/20 0.57
CYP3A4 P08684 3/20 0.57
CHRM2 P08172 1/20 0.57
DRD3 P35462 1/20 0.57
MEN1 O00255 2/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.53
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
SCHEMBL4099899 0.89 KMT2A (0.57) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL4872943 0.89 P2RY12 (0.57) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL4115190 0.89 P2RY12 (0.70) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL3229339 0.86 ALDH1A1 (0.58) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL4103245 0.86 P2RY12 (0.59) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL4737008 0.85 P2RY12 (0.58) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL16948666 0.84 OPRK1 (0.68) KDM4EKMT2AALDH1A1MEN1MAPK1
SCHEMBL18994576 0.83 KDM4E (0.70) KDM4EKMT2AALDH1A1P2RY12CYP2C9
SCHEMBL30999839 0.83 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL29258844 0.83 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 (1 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 KDM4E 1759/4885KMT2A 3584/4885ALDH1A1 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.