SCHEMBL1308616

SCHEMBL1308616

O=C(O)C1CCCN1C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
DGAT1 O75907 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGA4 P13612 1/20 0.46
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1308046 0.84 RAB9A (0.58) TSHRHPGDALDH1A1SMN1; SMN2CA2
SCHEMBL4887126 0.82 PREP (0.53) ALDH1A1SMN1; SMN2CA2TDP1L3MBTL1
SCHEMBL4887118 0.82 PREP (0.53) ALDH1A1SMN1; SMN2CA2TDP1L3MBTL1
SCHEMBL9538251 0.78 DRD1 (0.50) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6787220 0.78 CA2 (0.59) CA2
SCHEMBL6787214 0.78 CA2 (0.59) CA2
SCHEMBL13229 0.78 CA2 (0.67) ALDH1A1SMN1; SMN2CA2TDP1L3MBTL1
SCHEMBL28789388 0.78 CA2 (0.67) ALDH1A1SMN1; SMN2CA2TDP1L3MBTL1
SCHEMBL13230 0.78 CA2 (0.67) ALDH1A1SMN1; SMN2CA2TDP1L3MBTL1
SCHEMBL5537767 0.77 CA2 (0.75) HPGDALDH1A1SMN1; SMN2CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
EP-1940792-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-1 AND/OR PIM-3 Exelixis, Inc. (US) 2008-07-09 EP claimed
WO-2007044724-A2 AMINOPYRIMIDINE, AMINOPYRIDINE AND ANILINE DERIVATIVES INHIBITORS OF PIM-I AND/OR PIM-3 EXELIXIS, INC. (US) 2007-04-19 WO claimed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
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
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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 TSHR 1916/4885NPC1 3431/4885GLA 3066/4885

“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.