SCHEMBL14897328

SCHEMBL14897328

O=C(Nc1cccnc1)c1cnc2ccc(-c3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 8/20 0.61
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ BRAF P15056 6/20 0.49
▸ DYRK1A Q13627 1/20 0.48
▸ CSF1R P07333 3/20 0.47
▸ KIT P10721 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL20355566 0.90 FYN (0.65) FYNBRAFDYRK1A
SCHEMBL14897655 0.87 BRAF (0.60) FYNMEN1TSHRKMT2ABRAF
SCHEMBL14897036 0.84 FYN (0.51) FYNMEN1KMT2ADYRK1A
SCHEMBL14896957 0.84 FYN (0.55) FYNBRAFDYRK1A
SCHEMBL14881423 0.84 FYN (0.57) FYNTSHRDYRK1A
SCHEMBL14897308 0.82 FYN (0.58) FYNKMT2ADYRK1AKDR
SCHEMBL14897541 0.81 SGMS2 (0.46) FYN
SCHEMBL14881421 0.81 FYN (0.61) FYNDYRK1A
SCHEMBL14897066 0.80 LMNA (0.53) FYNMEN1KMT2AMAPK14
SCHEMBL14896773 0.80 FYN (0.59) FYNDYRK1A

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 FYN 1609/4885MEN1 4061/4885TSHR 1906/4885

“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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