SCHEMBL1030617

SCHEMBL1030617

O=C(Nc1cccnc1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL1032167 0.89 MEN1 (0.48) ABL1OPRM1KCNH2MEN1KMT2A
SCHEMBL1033187 0.89 ABL1 (0.47) ABL1OPRM1KCNH2MEN1KMT2A
SCHEMBL1034847 0.87 KMT2A (0.54) ABL1OPRM1KCNH2MEN1KMT2A
SCHEMBL1032899 0.86 SIRT2 (0.51) ABL1OPRM1KCNH2SIRT2MAPT
SCHEMBL1035290 0.86 NPC1 (0.55) ABL1OPRM1KCNH2MEN1KMT2A
SCHEMBL1031934 0.86 EGLN1 (0.60) ABL1MEN1KMT2ASIRT2MAPT
SCHEMBL1032356 0.85 CSF1R (0.54) ABL1MEN1KMT2ASIRT2MAPT
SCHEMBL1036232 0.82 SIRT2 (0.50) ABL1MEN1KMT2ASIRT2NPC1
SCHEMBL1031619 0.82 SIRT2 (0.50) ABL1MEN1KMT2ASIRT2MAPT
SCHEMBL4547980 0.81 NPC1 (0.47) ABL1OPRM1KCNH2MEN1KMT2A

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 ABL1 3468/4885OPRM1 4466/4885KCNH2 3369/4885

“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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