SCHEMBL1035340

SCHEMBL1035340

O=C(Nc1cccnc1)c1cccc2ncc(-c3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.58
KMT2A Q03164 6/20 0.56
CYP3A4 P08684 1/20 0.56
ATR Q13535 1/20 0.56
MEN1 O00255 4/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 2/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
SRC P12931 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
NAMPT P43490 2/20 0.52
CYP11B2 P19099 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL1034424 0.86 CSF1R (0.52) CYP2C9KMT2AMEN1MAPTLMNA
SCHEMBL1034847 0.83 KMT2A (0.54) CYP2C9KMT2ACYP3A4ATRMEN1
SCHEMBL1032829 0.81 CHRNB2 (0.61) KMT2AATRMEN1RAB9AMAPT
SCHEMBL1031934 0.80 EGLN1 (0.60) CYP2C9KMT2AMEN1RAB9AMAPT
SCHEMBL1034400 0.79 LMNA (0.64) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL7043497 0.78 PARP1 (0.71) KMT2AATRMAPK1
SCHEMBL31353202 0.78 PARP1 (0.59) CYP2C9KMT2ACYP3A4MEN1RAB9A
SCHEMBL6774617 0.78 CHRNB2 (0.71) CYP2C9KMT2AMEN1RAB9AMAPT
SCHEMBL20660475 0.78 PARP1 (0.60) KMT2ACYP3A4ATRMEN1RAB9A
SCHEMBL1034874 0.77 PARP1 (0.62) KMT2AALDH1A1KDM4ELMNA

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 CYP2C9 3401/4885KMT2A 997/4885CYP3A4 2193/4885

“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.