SCHEMBL1310073

SCHEMBL1310073

O=C(Cl)CCOc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.45
NR4A2 P43354 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 2/20 0.44
PARP10 Q53GL7 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
SCHEMBL8806419 0.91 KDM4E (0.51) LTA4HALDH1A1KDM4ESMN1; SMN2FAAH
SCHEMBL10609303 0.82 KMT2A (0.51) ALDH1A1L3MBTL1NR4A2MEN1KMT2A
SCHEMBL652824 0.82 L3MBTL1 (0.67) LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL20577873 0.81 L3MBTL1 (0.70) L3MBTL1DRD2DRD4DRD3MEN1
SCHEMBL8302869 0.81 LTA4H (0.54) LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL19043168 0.81 PARP10 (0.51) LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL1619089 0.80 NPC1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1NR4A2MEN1
SCHEMBL1308374 0.80 CYP1A2 (0.58) ALDH1A1MEN1KMT2APARP10
SCHEMBL21991820 0.78 LTA4H (0.55) LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21993318 0.78 MMP3 (0.66) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940792-B1 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES AS INHIBITORS OF PIM-1 AND/OR PIM-3 EXELIXIS INC (US) 2014-06-04 EP disclosed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP disclosed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 LTA4H 4714/4885ALDH1A1 1105/4885KDM4E 724/4885

“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.