SCHEMBL1036245

SCHEMBL1036245

O=C(Nc1ccncn1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.58
▸ CHRNB2 P17787 1/20 0.58
▸ CHRNB4 P30926 1/20 0.58
▸ CHRNA3 P32297 1/20 0.58
▸ CHRNA4 P43681 1/20 0.58
▸ CYP2C9 P11712 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PARP1 P09874 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ BCR P11274 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ PPARG P37231 1/20 0.43

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
SCHEMBL1031026 0.87 ATR (0.57) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1035756 0.87 CYP1A2 (0.55) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1034164 0.86 SIRT2 (0.54) ATRCYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL1035333 0.84 SMN1; SMN2 (0.57) CYP2C9CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL1030075 0.84 FGFR4 (0.48) CYP2C9CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL1035234 0.84 MPL (0.52) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1034318 0.84 FGFR4 (0.53) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1034242 0.83 ALDH1A1 (0.54) ATRCYP2C9ALDH1A1PARP1EGLN1
SCHEMBL1034842 0.83 SIRT2 (0.51) ATRCYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL1031934 0.82 EGLN1 (0.60) CYP2C9SMN1; SMN2POLBALDH1A1EGLN1

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 ATR 1057/4885CHRNB2 2379/4885CHRNB4 3068/4885

“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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