SCHEMBL1309527

SCHEMBL1309527

O=C(Nc1cc(Cl)ccc1-c1nnn[nH]1)c1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ KDR P35968 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ GPR35 Q9HC97 2/20 0.41
▸ MDM4 O15151 1/20 0.41

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
SCHEMBL1307467 0.87 KMT2A (0.55) TDP1GAAKMT2AMEN1KDR
SCHEMBL1309843 0.85 GPR35 (0.54) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL1308138 0.83 KCNMA1 (0.58) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL1308379 0.83 KCNMA1 (0.58) TDP1KDM4ERXFP1L3MBTL1KMT2A
SCHEMBL1308666 0.83 NPC1 (0.54) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL1309458 0.83 GPR35 (0.58) GAAKDM4EL3MBTL1KMT2AMEN1
SCHEMBL1308279 0.81 GRM5 (0.50) GAAKDM4ERXFP1KMT2AMEN1
SCHEMBL1308444 0.81 KCNMA1 (0.54) KDM4ERXFP1KMT2AMEN1MAPT
SCHEMBL1307860 0.80 GPR35 (0.56) KMT2AMEN1NPC1RAB9AGPR35
SCHEMBL1307945 0.80 GPR35 (0.58) RXFP1L3MBTL1KMT2AMEN1NPC1

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 TDP1 464/4885GAA 2209/4885KDM4E 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.

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