SCHEMBL14897634

SCHEMBL14897634

COc1cccc(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 12/20 0.51
▸ SORT1 Q99523 1/20 0.43
▸ FYN P06241 2/20 0.41
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ ATR Q13535 1/20 0.38
▸ TGFBR2 P37173 1/20 0.37
▸ F2RL3 Q96RI0 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
SCHEMBL14897070 0.90 TGFBR1 (0.41) TGFBR1CSNK1DCSNK1EATR
SCHEMBL14896718 0.89 TGFBR1 (0.44) TGFBR1FYN
SCHEMBL14897068 0.88 TGFBR1 (0.53) TGFBR1FYNCSNK1DCSNK1ETGFBR2
SCHEMBL14896826 0.88 TGFBR1 (0.56) TGFBR1SORT1
SCHEMBL14881456 0.87 TGFBR1 (0.39) TGFBR1FYNATR
SCHEMBL18654515 0.87 TGFBR1 (0.45) TGFBR1FYNATR
SCHEMBL16193136 0.87 NPC1 (0.45) TGFBR1FYNCSNK1DCSNK1EATR
SCHEMBL14896707 0.87 TGFBR1 (0.50) TGFBR1FYNATR
SCHEMBL14896706 0.87 TGFBR1 (0.42) TGFBR1FYNATRF2RL3
SCHEMBL14896721 0.86 TGFBR1 (0.45) TGFBR1FYNATRF2RL3

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 TGFBR1 4488/4885SORT1 4786/4885FYN 1609/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TGFBR1 4488/4885SORT1 4786/4885FYN 1609/4885

“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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