SCHEMBL1101337

SCHEMBL1101337

O=C(COc1cccc2cccnc12)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
HTT P42858 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
SCN9A Q15858 2/20 0.61
SCN5A Q14524 1/20 0.61
FKBP1A P62942 6/20 0.60
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.55
MDM4 O15151 1/20 0.55
TP53 P04637 1/20 0.55
MDM2 Q00987 1/20 0.55
RAB9A P51151 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL31428655 0.82 FKBP1A (0.70) KDM4EALDH1A1SMN1; SMN2FKBP1APOLB
SCHEMBL5064329 0.78 KDM4E (0.60) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL31428591 0.76 FKBP1A (0.59) KDM4EALDH1A1HPGDSMN1; SMN2FKBP1A
SCHEMBL1100987 0.75 PIK3CD (0.53) KDM4ESMN1; SMN2SCN9ASCN5APOLB
SCHEMBL9284192 0.75 MAPT (0.68) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL45506 0.75 MAPT (0.68) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL6984881 0.75 GRM4 (0.54) KDM4EHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12988518 0.75 FKBP1A (0.71) KDM4EALDH1A1SMN1; SMN2FKBP1APOLB
Hydrochloric Acid SCHEMBL1101288 0.74 PIK3CD (0.52) KDM4ESMN1; SMN2SCN9ASCN5APOLB
SCHEMBL1101138 0.74 KDM4E (0.58) KDM4ESMN1; SMN2TSHRMAPTNPC1

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
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US claimed
JP-4267920-B2 2009-05-27 JP claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
JP-2004523542-A 2004-08-05 JP claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO claimed
EP-0869958-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-10-14 EP claimed
WO-1998014447-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-04-09 WO claimed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
WO-2008073519-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-19 WO disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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 (2 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 KDM4E 1680/4885HTT 4489/4885ALDH1A1 2449/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 KDM4E 1680/4885HTT 4489/4885ALDH1A1 2449/4885

“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.