SCHEMBL1034573

SCHEMBL1034573

Cc1noc(C)c1NC(=O)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ AR P10275 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FGFR4 P22455 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ EPAS1 Q99814 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ XDH P47989 1/20 0.38

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
SCHEMBL1034096 0.87 LMNA (0.48) BRD4LMNACNR1CNR2RXFP1
SCHEMBL1035391 0.85 MAPK1 (0.53) LMNARXFP1SMN1; SMN2HTTFGFR4
SCHEMBL12673094 0.81 PARP1 (0.60) LMNARXFP1PARP1
SCHEMBL1034416 0.80 KMT2A (0.48) CNR1CNR2RXFP1SMN1; SMN2KDM1A
SCHEMBL1034065 0.80 RXFP1 (0.53) LMNARXFP1HTTPARP1
SCHEMBL1034305 0.79 KMO (0.49) LMNACNR1CNR2RXFP1FGFR4
SCHEMBL1035365 0.79 PHGDH (0.46) CNR1CNR2FGFR4MAPKAPK2KMO
SCHEMBL1034072 0.78 JAK2 (0.51) LMNACNR1CNR2RXFP1SMN1; SMN2
SCHEMBL1034834 0.78 SORT1 (0.57) CNR1CNR2SMN1; SMN2KDM1AFGFR4
SCHEMBL17772340 0.78 DHODH (0.42) CNR1CNR2RXFP1FGFR4MAPKAPK2

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 BRD4 132/4885LMNA 3200/4885CNR1 1971/4885

“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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