SCHEMBL1034174

SCHEMBL1034174

O=C(O)c1cccc2cnc(-c3cccnc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.49
▸ DHODH Q02127 2/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ ABL1 P00519 2/20 0.43

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
SCHEMBL1033047 0.84 CYP11B1 (0.49) KDM4ECYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL1035431 0.82 EGLN1 (0.54) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1033354 0.81 PARP1 (0.60) KMODHODHLMNAKDM4EHTT
SCHEMBL1035668 0.80 CYP1A2 (0.55) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1035756 0.79 CYP1A2 (0.55) LMNAHTTCYP1A2CYP2C9CYP2C19
SCHEMBL11782258 0.78 MKNK1 (0.55) KMODHODHLMNAKDM4EHTT
SCHEMBL1034289 0.78 NPC1 (0.50) LMNAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL6760390 0.77 LMNA (0.57) KMOLMNAMKNK1MKNK2CYP1A2
SCHEMBL3229462 0.77 ALDH1A1 (0.53) KMODHODHLMNAKDM4EHTT
SCHEMBL6016346 0.77 KMT2A (0.56) KMODHODHLMNAHTTMKNK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 — — CN disclosed
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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN 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 KMO 256/4885DHODH 1011/4885LMNA 3200/4885

“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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