SCHEMBL1309458

SCHEMBL1309458

O=C(Nc1cc(Cl)ccc1-c1nnn[nH]1)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.58
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALPL P05186 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PPARG P37231 2/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 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
SCHEMBL1309843 0.91 GPR35 (0.54) GPR35MEN1KMT2AALDH1A1LMNA
SCHEMBL1307938 0.85 GPR35 (0.53) GPR35ALDH1A1LMNANPC1RAB9A
SCHEMBL1307860 0.85 GPR35 (0.56) GPR35MEN1KMT2AJAK2JAK1
SCHEMBL1308666 0.84 NPC1 (0.54) GPR35MEN1KMT2AALDH1A1NPC1
SCHEMBL1308138 0.84 KCNMA1 (0.58) GPR35MEN1KMT2AALPLALDH1A1
SCHEMBL1308379 0.84 KCNMA1 (0.58) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1309055 0.83 JAK2 (0.47) GPR35MEN1KMT2AJAK2JAK1
SCHEMBL1308444 0.83 KCNMA1 (0.54) GPR35MEN1KMT2AKDM4EKCNMA1
SCHEMBL1309527 0.83 TDP1 (0.53) GPR35MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6182655 0.82 GPR35 (0.39) GPR35MEN1KMT2AALPLJAK2

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 13 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-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
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 GPR35 4703/4885MEN1 2312/4885KMT2A 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.

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