SCHEMBL1095446

SCHEMBL1095446

Nc1ncnc(Nc2cccc(F)c2)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.55
ABCG2 Q9UNQ0 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
ERBB2 P04626 7/20 0.51
ABL1 P00519 1/20 0.50
ABL2 P42684 1/20 0.50
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL1095193 0.84 EGFR (0.70) EGFRABCG2ERBB2
SCHEMBL1096684 0.84 EGFR (0.57) EGFRHTTERBB2ABL1ABL2
SCHEMBL1095749 0.83 EGFR (0.58) EGFRABCG2HTTERBB2LMNA
SCHEMBL1095605 0.83 EGFR (0.50) EGFRMKNK1ERBB2
SCHEMBL1094882 0.83 EGFR (0.76) EGFRERBB2
SCHEMBL1105392 0.83 EGFR (0.76) EGFRERBB2
SCHEMBL4734704 0.83 EGFR (0.58) EGFRABCG2MAPK1ERBB2ABL1
SCHEMBL1095102 0.82 EGFR (0.56) EGFRMAPK1HTTERBB2
SCHEMBL1096401 0.81 ABCG2 (0.55) EGFRABCG2MAPK1ERBB2RAB9A
SCHEMBL1095340 0.81 EGFR (0.57) EGFRERBB2

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 9 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-8278446-B2 reacting 4-amino-6-chloro-pyrimidine-5-carbaldehyde with 4-benzyloxy-3-chloro-phenylamine in an aqueous solvent and a catalytic amount of hydrochloric acid, to providw 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carbaldehyde, then oximination with (2-morpholin-4-yl-ethyl)-hydroxylamine JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 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
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 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 (3 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 1201/4885ABCG2 2830/4885MAPK1 31/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ABCG2 2830/4885MAPK1 31/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS EGFR 1036/4885ABCG2 1495/4885MAPK1 1661/4885

“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.