SCHEMBL5648618

SCHEMBL5648618

Cc1ccn(NCc2cccnc2)c(=O)c1CC(=O)NCc1cc(F)ccc1CN

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.50
GAA P10253 1/20 0.46
F2 P00734 8/20 0.46
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5652332 0.92 F2 (0.51) P2RX7F2CYP3A4ALDH1A1CYP1A2
SCHEMBL5650682 0.90 F2 (0.51) P2RX7F2CYP3A4
SCHEMBL5647375 0.90 F2 (0.54) P2RX7F2CYP3A4
SCHEMBL5647748 0.90 F2 (0.47) P2RX7F2CYP3A4
SCHEMBL27649111 0.89 F2 (0.45) GAAF2ALDH1A1
SCHEMBL5968557 0.83 F2 (0.45) P2RX7F2CYP3A4ALDH1A1CYP1A2
SCHEMBL5650270 0.83 F2 (0.53) P2RX7F2
SCHEMBL5651838 0.83 P2RX7 (0.51) P2RX7F2
SCHEMBL5649998 0.82 P2RX7 (0.43) P2RX7F2
SCHEMBL5649365 0.82 F2 (0.42) P2RX7F2CYP3A4

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT P2RX7 2777/4885GAA 739/4885F2 2/4885

“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.