SCHEMBL1034419

SCHEMBL1034419

Cc1cc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)sn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP2C9 P11712 4/20 0.44
▸ CYP2A6 P11509 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ABL1 P00519 3/20 0.41
▸ BCR P11274 3/20 0.41
▸ SRC P12931 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ PRKCA P17252 1/20 0.41

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
SCHEMBL1030361 0.84 AR (0.42) MAPTALDH1A1PARP1HTTSMN1; SMN2
SCHEMBL1033357 0.81 KMT2A (0.53) CYP2A6ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1031949 0.80 CYP2C9 (0.49) KDM4EMAPTCYP2C9CYP2A6ALDH1A1
SCHEMBL1033594 0.80 MAPT (0.62) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL1034084 0.80 ATR (0.45) MAPTPRKCANPC1RAB9APKM
SCHEMBL1031934 0.79 EGLN1 (0.60) KDM4EMAPTCYP2C9ALDH1A1GAA
SCHEMBL1031321 0.78 ALDH1A1 (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1034077 0.78 RAB9A (0.53) KDM4EMAPTCYP2C9ALDH1A1HSD17B10
SCHEMBL1031951 0.78 SMN1; SMN2 (0.53) KDM4EMAPTALDH1A1HSD17B10LMNA
SCHEMBL1034242 0.78 ALDH1A1 (0.54) CYP2C9ALDH1A1ABL1BCRSRC

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 KDM4E 1791/4885MAPT 903/4885CYP2C9 3401/4885

“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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