SCHEMBL1033047

SCHEMBL1033047

COC(=O)c1cccc2cnc(-c3cccnc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
CYP1A2 P05177 4/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A2 P43354 2/20 0.45
MAPK1 P28482 1/20 0.45
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
NEK1 Q96PY6 1/20 0.44
CFTR P13569 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
SCHEMBL1034174 0.84 KMO (0.49) ALDH1A1ABL1BCRSRCCYP1A2
SCHEMBL1035431 0.81 EGLN1 (0.54) CYP11B1CYP11B2ALDH1A1ABL1BCR
SCHEMBL14358581 0.80 KDM4E (0.48) CYP11B1CYP11B2CYP19A1ALDH1A1ABL1
SCHEMBL1035668 0.78 CYP1A2 (0.55) ALDH1A1CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL1035756 0.77 CYP1A2 (0.55) ALDH1A1CYP1A2KMT2ACYP2C9CYP2C19
SCHEMBL3226295 0.77 ALDH1A1 (0.65) CYP11B1CYP11B2CYP19A1ALDH1A1ABL1
SCHEMBL30144037 0.77 ALDH1A1 (0.65) CYP11B1CYP11B2CYP19A1ALDH1A1ABL1
SCHEMBL1034289 0.76 NPC1 (0.50) ALDH1A1ABL1BCRCYP1A2KMT2A
SCHEMBL1033586 0.76 KDM4E (0.56) ALDH1A1CYP1A2KMT2ACYP2C9CYP3A4
SCHEMBL30144063 0.75 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1ALDH1A1ABL1

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 CYP11B1 579/4885CYP11B2 738/4885CYP19A1 845/4885

“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.