SCHEMBL5648992

SCHEMBL5648992

COc1nccc(C)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
DYRK1A Q13627 1/20 0.32
GAA P10253 1/20 0.32
APLNR P35414 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL31150941 1.00 NOS2 (0.40) NOS2NOS3MEN1KMT2AAURKA
SCHEMBL14853181 0.82 NOS2 (0.55) NOS2NOS3AURKATTKAURKB
SCHEMBL31151108 0.81 NOS2 (0.40) NOS2NOS3AURKATTKAURKB
SCHEMBL21437197 0.81 SMN1; SMN2 (0.38) MEN1KMT2AAURKATTKAURKB
SCHEMBL5649291 0.81 NOS2 (0.44) NOS2NOS3AURKATTKAURKB
SCHEMBL31437498 0.79 AURKA (0.33) MEN1KMT2AAURKATTKAURKB
SCHEMBL4402294 0.79 AURKA (0.33) MEN1KMT2AAURKATTKAURKB
SCHEMBL25650131 0.79 STING1 (0.34) MEN1KMT2AAURKATTKAURKB
SCHEMBL19604959 0.79 NOS2 (0.58) NOS2NOS3AURKATTKAURKB
SCHEMBL31214498 0.79 TRPV4 (0.36) NOS2NOS3MEN1KMT2AGAA

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US 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 NOS2 1373/4885NOS3 1498/4885MEN1 1252/4885

“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.