SCHEMBL1095313

SCHEMBL1095313

COc1cc(Nc2ncnc(N)c2C=O)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.58
RIPK2 O43353 1/20 0.50
EPHB2 P29323 1/20 0.50
ERBB2 P04626 8/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
TTR P02766 1/20 0.48
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
CLK1 P49759 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
LCK P06239 2/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL14467422 0.89 EGFR (0.50) EGFRRIPK2EPHB2ERBB2ABCG2
SCHEMBL1095430 0.89 EGFR (0.58) EGFRERBB2ABCG2CLK1KDM4E
SCHEMBL5005266 0.89 EGFR (0.64) EGFRRIPK2EPHB2ERBB2ABCG2
SCHEMBL1105246 0.89 EGFR (0.64) EGFRRIPK2EPHB2ERBB2ABCG2
SCHEMBL1095638 0.83 EGFR (0.56) EGFRRIPK2EPHB2ERBB2TTBK1
SCHEMBL1096021 0.82 EGFR (0.54) EGFRERBB2ABCG2KDM4EALDH1A1
SCHEMBL1095440 0.81 EGFR (0.70) EGFRERBB2MAPTLMNAKDR
SCHEMBL1094674 0.78 EGFR (0.53) EGFRERBB2MEN1KMT2ALCK
SCHEMBL1096971 0.78 EGFR (0.52) EGFRERBB2TTBK1TTBK2KDM4E
SCHEMBL1094395 0.78 CCNA2 (0.53) EGFRERBB2TTBK1TTBK2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1201/4885RIPK2 317/4885EPHB2 1398/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885RIPK2 317/4885EPHB2 1398/4885

“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.