SCHEMBL1031949

SCHEMBL1031949

Cc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.49
▸ LCK P06239 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ IDE P14735 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KARS1 Q15046 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 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
SCHEMBL1033357 0.88 KMT2A (0.53) GRM5KMT2AALDH1A1HPGDHSD17B10
SCHEMBL1035365 0.84 PHGDH (0.46) LCKSORT1
SCHEMBL1034164 0.81 SIRT2 (0.54) CYP2C9KMT2AALDH1A1TSHRHSD17B10
SCHEMBL1031026 0.80 ATR (0.57) CYP2C9KMT2AKDM4EALDH1A1GAA
SCHEMBL1034842 0.80 SIRT2 (0.51) CYP2C9KMT2AKDM4EMAPTALDH1A1
SCHEMBL1034419 0.80 KDM4E (0.45) CYP2C9KMT2AKDM4EMAPTALDH1A1
SCHEMBL1031934 0.79 EGLN1 (0.60) CYP2C9KMT2AKDM4EMAPTALDH1A1
SCHEMBL1035334 0.79 POLQ (0.44) KMT2AMAPTNPC1RAB9ACYP1A2
SCHEMBL1036245 0.79 ATR (0.58) CYP2C9KMT2AIDEALDH1A1SMN1; SMN2
SCHEMBL1033594 0.79 MAPT (0.62) GRM5KMT2AKDM4EMAPTALDH1A1

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 3401/4885LCK 3599/4885GRM5 1699/4885

“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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