SCHEMBL1096352

SCHEMBL1096352

COc1ccc(Cl)cc1Nc1ncnc(N)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
ERBB2 P04626 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 4/20 0.45
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
EPHB2 P29323 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAPT P10636 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
SCHEMBL1105395 0.87 EGFR (0.62) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL5001648 0.87 EGFR (0.62) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL1095222 0.85 LMNA (0.47) EGFRHPGDGAAERBB2KMT2A
SCHEMBL1095626 0.82 ALDH1A1 (0.47) EGFRHPGDGAAERBB2SRC
SCHEMBL1095440 0.82 EGFR (0.70) EGFRERBB2LMNAKDRMAPT
SCHEMBL1095664 0.80 KDR (0.48) EGFRERBB2SRCFGFR1FLT1
SCHEMBL1095430 0.80 EGFR (0.58) EGFRHPGDERBB2KMT2AMEN1
SCHEMBL1095080 0.76 EGFR (0.56) EGFRERBB2KMT2AMEN1LMNA
SCHEMBL1094674 0.76 EGFR (0.53) EGFRERBB2KMT2AMEN1SRC
SCHEMBL1096021 0.76 EGFR (0.54) EGFRHPGDERBB2KMT2APOLB

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 8 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
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US 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
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 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 (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 EGFR 1201/4885HPGD 881/4885GAA 2642/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885HPGD 881/4885GAA 2642/4885

“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.