SCHEMBL1309972

SCHEMBL1309972

COc1cccc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CETP P11597 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1309974 0.92 NOTUM (0.49) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1308139 0.89 RAB9A (0.58) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1307131 0.87 NPC1 (0.48) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1307908 0.86 POLB (0.49) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1310212 0.85 ALDH1A1 (0.56) LMNAKMT2AALDH1A1MEN1KDM4E
SCHEMBL1307824 0.83 GPR35 (0.56) KMT2AMEN1POLBGAAKDM4E
SCHEMBL12114282 0.82 SMN1; SMN2 (0.46) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1308511 0.79 THRB (0.47) L3MBTL1LMNAKMT2AALDH1A1MEN1
SCHEMBL1308550 0.79 MEN1 (0.54) LMNAKMT2AALDH1A1MEN1POLB
SCHEMBL4914403 0.79 NPC1 (0.56) L3MBTL1LMNAALDH1A1POLBNPSR1

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 12 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 claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US claimed
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
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-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US 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
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US 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 L3MBTL1 1186/4885LMNA 1387/4885KMT2A 1570/4885

“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.