SCHEMBL15577491

SCHEMBL15577491

COc1cc(-c2ccc(C#N)cc2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.49
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ CHEK1 O14757 2/20 0.44
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ LMNA P02545 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
SCHEMBL15579096 0.92 TACR3 (0.47) TACR3GSK3AGSK3BDYRK1ACHEK1
SCHEMBL7275010 0.82 TACR3 (0.42) TACR3NOTUMUSP30ALPLCA9
SCHEMBL17016688 0.82 MAPT (0.54) TACR3GSK3AGSK3BDYRK1APDE4A
SCHEMBL17020584 0.81 ALPL (0.49) GSK3AGSK3BDYRK1APDE4APDE4B
SCHEMBL15577517 0.81 MAPT (0.55) TACR3GSK3AGSK3BDYRK1APDE4A
SCHEMBL15577629 0.78 NOTUM (0.45) TACR3CHEK1NOTUMMAPTUSP30
SCHEMBL1528271 0.76 NPC1 (0.54) TACR3CHEK1MAPTNPC1MAPK1
SCHEMBL11142799 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7277324 0.74 CASP1 (0.46) TACR3NOTUMUSP30ALPL
SCHEMBL1250639 0.74 RAB9A (0.77) DYRK1AMAPTNPC1MAPK1RAB9A

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 10 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-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-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 TACR3 4432/4885GSK3A 1921/4885GSK3B 1602/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 TACR3 4356/4885GSK3A 1983/4885GSK3B 1587/4885

“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.

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