SCHEMBL15614331

SCHEMBL15614331

Oc1cc(-c2ccc(F)cc2)cnc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAP4K4 O95819 1/20 0.46
FYN P06241 2/20 0.46
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
GRIN2B Q13224 2/20 0.40
GRIN1 Q05586 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 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
SCHEMBL17016707 0.81 MAP4K4 (0.44) EGLN1CLK1CLK2DYRK1ADYRK2
SCHEMBL18263141 0.81 FYN (0.57) EGLN1CLK1CLK2DYRK1ADYRK2
SCHEMBL17016659 0.81 EGLN1 (0.48) EGLN1CLK1CLK2DYRK1ADYRK2
SCHEMBL15577495 0.76 EGLN1 (0.55) EGLN1MAP4K4CA3CA6CA9
SCHEMBL11467795 0.74 NPC1 (0.46) EGLN1CLK1CLK2DYRK1ADYRK2
SCHEMBL31168607 0.73
SCHEMBL1005535 0.70 ERCC1 (0.50) CLK1CLK2DYRK1ADYRK2CLK4
SCHEMBL7001102 0.69 HSD17B1 (0.56) XDHSLC22A12ESR2
SCHEMBL31402889 0.69 HSD17B1 (0.56) XDHSLC22A12ESR2
SCHEMBL13854089 0.69 PDGFRB (0.51) MAP4K4FYNPDGFRBPDGFRAGRIN2B

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-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-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

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 EGLN1 56/4885CLK1 4378/4885CLK2 4052/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 EGLN1 59/4885CLK1 4452/4885CLK2 3995/4885

“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.