SCHEMBL14897651

SCHEMBL14897651

Cc1ccc(NC(=O)c2c(C)nc3ccc(-c4cccc(C#N)c4)nn23)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ GRM5 P41594 3/20 0.44
▸ F11 P03951 1/20 0.44
▸ MET P08581 3/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37

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
SCHEMBL14897642 0.88 RAB9A (0.42) ADORA2AGRM5METFYNSMN1; SMN2
SCHEMBL14897649 0.86 CSNK1D (0.43) METFYNSMN1; SMN2
SCHEMBL14881798 0.82 F11 (0.61) EGLN2ADORA2AGRM5F11MET
SCHEMBL18654724 0.82 F11 (0.42) ADORA2AGRM5F11METPDE1A
SCHEMBL14881849 0.81 F11 (0.51) ADORA2AF11METPDE1APDE4C
SCHEMBL14897201 0.81 DYRK1A (0.53) PIM1FYN
SCHEMBL14896966 0.80 ADORA2A (0.42) ADORA2AGRM5METFYNSMN1; SMN2
SCHEMBL14896998 0.79 FYN (0.40) ADORA2AFYNSMN1; SMN2NPC1RAB9A
SCHEMBL16265183 0.77 NPC1 (0.39) METSMN1; SMN2NPC1RAB9A
SCHEMBL14896967 0.77 FYN (0.43) METFYNSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
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 (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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGLN2 931/4885ADORA2A 345/4885GRM5 2066/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGLN2 931/4885ADORA2A 345/4885GRM5 2066/4885

“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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