SCHEMBL1033322

SCHEMBL1033322

O=C(Nc1ccncn1)c1cccc2ccc(-c3ccnc(C(F)F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ ATR Q13535 1/20 0.40
▸ FGFR4 P22455 2/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ MPL P40238 4/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ IDE P14735 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1033101 0.83 EGLN1 (0.50) ALDH1A1CYP2C9SMN1; SMN2POLBKDM4E
SCHEMBL1035234 0.82 MPL (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL1031182 0.82 SIRT2 (0.48) LMNAALDH1A1CYP1A2SMN1; SMN2POLB
SCHEMBL1036245 0.81 ATR (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL1033122 0.80 PARP1 (0.47) LMNAALDH1A1AAK1PARP1
SCHEMBL1034318 0.79 FGFR4 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL1034654 0.79 RAB9A (0.44) ATRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1035188 0.77 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL1033865 0.77 JAK2 (0.39) PARP1SMN1; SMN2NPC1RAB9A
SCHEMBL1035323 0.74 KDM4E (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ATR

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 CHRNB2 2379/4885CHRNB4 3068/4885CHRNA3 2140/4885

“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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