SCHEMBL15577667

SCHEMBL15577667

COc1ncnc(-c2ccc(F)cc2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
KIT P10721 3/20 0.40
SLC34A1 Q06495 3/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
FYN P06241 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL15614440 0.82 ALDH1A1 (0.46) KMONPC1RAB9AMAPT
SCHEMBL23147071 0.81 KMO (0.43) KMOKITSLC34A1IDO1TDO2
SCHEMBL23147896 0.80 KMO (0.65) KMO
SCHEMBL20640066 0.76 NPC1 (0.40) IDO1TDO2FYNNPC1RAB9A
SCHEMBL23146642 0.75 KMO (0.50) KMOKITNPC1RAB9AMAPK14
SCHEMBL5010236 0.73 MAPK14 (0.45) MAPK14
SCHEMBL3817132 0.72 PDPK1 (0.45) KMONPC1RAB9AMAPT
SCHEMBL1232178 0.71 TRPA1 (0.51) NPC1RAB9ATRPA1
SCHEMBL15577472 0.69 PDPK1 (0.48) FYNRAB9AMAPK14
SCHEMBL3338046 0.69 MAP4K4 (0.60) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 US disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 WO disclosed
WO-2014043252-A2 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-03-20 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 KMO 1449/4885KIT 1884/4885SLC34A1 994/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 KMO 1658/4885KIT 1449/4885SLC34A1 1103/4885

“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.