SCHEMBL1031951

SCHEMBL1031951

Cc1nnc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)s1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
POLQ O75417 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL1031321 0.85 ALDH1A1 (0.52) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1034077 0.85 RAB9A (0.53) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1033594 0.83 MAPT (0.62) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1034840 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL1075622 0.82 AQP4 (0.57) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1033355 0.81 SCD (0.61) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1033853 0.81 NPC1 (0.52) SMN1; SMN2PKMMAPTKDM4EALDH1A1
SCHEMBL1031934 0.79 EGLN1 (0.60) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL1033357 0.79 KMT2A (0.53) ALDH1A1KMT2AHSD17B10
SCHEMBL1074636 0.79 HTT (0.56) SMN1; SMN2MAPTKDM4EALDH1A1NPC1

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 SMN1; SMN2 2735/4885PKM 1721/4885MAPT 903/4885

“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.