SCHEMBL14897247

SCHEMBL14897247

Cc1ccc(NC(=O)c2cnn3ccc(-c4ccccc4C(F)(F)F)nc23)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.49
IRAK4 Q9NWZ3 5/20 0.48
TGFBR1 P36897 11/20 0.48
TYK2 P29597 2/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL14897677 0.89 TGFBR1 (0.56) EPHB3IRAK4TGFBR1JAK2
SCHEMBL14896910 0.86 TGFBR1 (0.46) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14882092 0.86 TGFBR1 (0.49) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14881582 0.86 TGFBR1 (0.53) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14896832 0.85 TGFBR1 (0.50) EPHB3IRAK4TGFBR1JAK2
SCHEMBL14897283 0.85 TGFBR1 (0.48) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14896922 0.85 TGFBR1 (0.47) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14897694 0.85 TGFBR1 (0.51) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14896924 0.85 ALDH1A1 (0.49) EPHB3IRAK4TGFBR1TYK2JAK2
SCHEMBL14881674 0.85 TGFBR1 (0.49) EPHB3IRAK4TGFBR1TYK2JAK2

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 8 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-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 EPHB3 4698/4885IRAK4 3168/4885TGFBR1 4488/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EPHB3 4698/4885IRAK4 3168/4885TGFBR1 4488/4885

“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.