SCHEMBL14897201

SCHEMBL14897201

Cc1ccc(NC(=O)c2c(C)nc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)nn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 11/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ HASPIN Q8TF76 1/20 0.53
▸ FYN P06241 3/20 0.51
▸ RIPK1 Q13546 3/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL14897340 0.92 DYRK1A (0.52) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL14897341 0.89 FYN (0.48) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL14897649 0.85 CSNK1D (0.43) FYN
SCHEMBL14897642 0.85 RAB9A (0.42) FYN
SCHEMBL20355589 0.84 CYP1A2 (0.39) DYRK1ACLK2HASPINRIPK1
SCHEMBL18655138 0.83 DYRK1A (0.51) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL14896824 0.82 SCN10A (0.43) RIPK1
SCHEMBL14897651 0.81 EGLN2 (0.45) FYNPIM1
SCHEMBL18654725 0.81 DYRK1A (0.51) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL18654738 0.79 FYN (0.47) DYRK1ACLK2HASPINFYNRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2222/4885CLK2 821/4885HASPIN 1743/4885

“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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