SCHEMBL1095605

SCHEMBL1095605

Nc1ncnc(Nc2ccc(F)cc2)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.50
ERBB2 P04626 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MKNK1 Q9BUB5 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SGK1 O00141 1/20 0.45
DYRK3 O43781 1/20 0.45
EIF4E P06730 1/20 0.45
EIF2AK2 P19525 1/20 0.45
MTOR P42345 1/20 0.45
CSNK1D P48730 1/20 0.45
BRSK2 Q8IWQ3 1/20 0.45
AURKB Q96GD4 1/20 0.45
TTBK1 Q5TCY1 2/20 0.44
TTBK2 Q6IQ55 2/20 0.44
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
SCHEMBL1095080 0.85 EGFR (0.56) EGFRERBB2MKNK1MEN1KMT2A
SCHEMBL1095423 0.85 EGFR (0.59) EGFRERBB2AURKBTTBK1TTBK2
SCHEMBL4734704 0.84 EGFR (0.58) EGFRERBB2MKNK2DYRK3AURKB
SCHEMBL1095102 0.84 EGFR (0.56) EGFRERBB2SMN1; SMN2MAPT
SCHEMBL1095506 0.84 KDM4E (0.51) EGFRERBB2MEN1KMT2ATTBK1
SCHEMBL1095446 0.83 EGFR (0.55) EGFRERBB2MKNK1
SCHEMBL1095645 0.82 EGFR (0.57) EGFRERBB2SMN1; SMN2MEN1KMT2A
SCHEMBL1095431 0.81 EGFR (0.51) EGFRERBB2MEN1KMT2ATDP1
SCHEMBL1094919 0.81 EGFR (0.50) EGFRERBB2SMN1; SMN2MEN1KMT2A
SCHEMBL1095650 0.81 EGFR (0.53) EGFRERBB2MEN1KMT2AMAPT

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 6 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
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 EGFR 1201/4885ERBB2 124/4885SMN1; SMN2 1011/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885SMN1; SMN2 1011/4885

“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.