SCHEMBL1095102

SCHEMBL1095102

Nc1ncnc(Nc2ccc(F)c(F)c2)c1C=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.56
ERBB2 P04626 9/20 0.56
SOS1 Q07889 1/20 0.42
RAF1 P04049 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM1 Q13255 1/20 0.41
PIK3CA P42336 1/20 0.39
GRM4 Q14833 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL1096273 0.88 EGFR (0.71) EGFRERBB2MAPK1GRM1
SCHEMBL4737426 0.88 EGFR (0.50) EGFRERBB2
SCHEMBL1095409 0.88 EGFR (0.53) EGFRERBB2MAPTMAPK1HTT
SCHEMBL1095605 0.84 EGFR (0.50) EGFRERBB2MAPTSMN1; SMN2
SCHEMBL4737795 0.82 EGFR (0.81) EGFRERBB2
SCHEMBL1105385 0.82 EGFR (0.81) EGFRERBB2
SCHEMBL1095446 0.82 EGFR (0.55) EGFRERBB2MAPK1HTT
SCHEMBL1095080 0.81 EGFR (0.56) EGFRERBB2
SCHEMBL1096546 0.81 EGFR (0.65) EGFRERBB2GRM1
SCHEMBL1094939 0.80 EGFR (0.61) EGFRERBB2MAPTHTTSMN1; SMN2

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
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 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
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 1201/4885ERBB2 124/4885SOS1 1500/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885SOS1 1500/4885

“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.