SCHEMBL14897655

SCHEMBL14897655

O=C(Nc1cccnc1)c1ccnc2cc(-c3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.60
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ FYN P06241 1/20 0.49
▸ CSF1R P07333 3/20 0.47
▸ KIT P10721 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ CHRM4 P08173 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
SCHEMBL14897924 0.89 BRAF (0.65) BRAFFYNCHRM4
SCHEMBL14897935 0.87 ALOX15 (0.57) BRAFTSHRFYNKDRCHRM4
SCHEMBL14897328 0.87 FYN (0.61) BRAFMEN1TSHRKMT2AFYN
SCHEMBL14897933 0.85 BRAF (0.55) BRAFFYNCHRM4
SCHEMBL14897695 0.83 BRAF (0.55) BRAFFYNCHRM4
SCHEMBL14897820 0.83 BRAF (0.52) BRAFFYNCHRM4
SCHEMBL14897564 0.82 SGMS2 (0.46) BRAFCHRM4
SCHEMBL14897927 0.81 HPGD (0.52) BRAFKMT2AFYNKDR
SCHEMBL4717371 0.81 BRAF (0.86) BRAF
SCHEMBL14897728 0.81 BRAF (0.49) BRAFFYNCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 — — US disclosed
WO-2013059594-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-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BRAF 2676/4885MEN1 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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