SCHEMBL1035367

SCHEMBL1035367

O=C(Nc1cccc2ccc(-c3cncc(F)c3)nc12)c1cscn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
KDR P35968 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MAPK10 P53779 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GRM1 Q13255 1/20 0.36
GRM4 Q14833 1/20 0.36
ABL1 P00519 1/20 0.35
MAOB P27338 1/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1036137 0.91 PIM1 (0.43) PIM1KDRMEN1KMT2AHTT
SCHEMBL1034649 0.90 PIM1 (0.42) PIM1MEN1KMT2ACSNK1DCSNK1E
SCHEMBL1034595 0.88 SMN1; SMN2 (0.42) PIM1KDRMEN1KMT2AHTT
SCHEMBL1035183 0.86 PIM1 (0.42) PIM1KDRMEN1KMT2AHTT
SCHEMBL1031299 0.85 IRAK4 (0.52) PIM1KDRHTTSMN1; SMN2ALDH1A1
SCHEMBL1033979 0.85 PIM1 (0.45) PIM1KDRMEN1KMT2AHTT
SCHEMBL1034906 0.85 CYP2C9 (0.40) PIM1MEN1KMT2AALDH1A1CSNK1D
SCHEMBL1032755 0.85 PIK3C3 (0.41) PIM1KDRHTTSMN1; SMN2ALDH1A1
SCHEMBL1031894 0.84 MAPT (0.41) PIM1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1034502 0.84 PIM1 (0.48) PIM1KDRMEN1KMT2AHTT

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 PIM1 4218/4885KDR 1845/4885MEN1 2841/4885

“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.