SCHEMBL1095440

SCHEMBL1095440

COc1ccc(Nc2ncnc(N)c2C=O)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.70
ERBB2 P04626 6/20 0.58
PIP4K2A P48426 6/20 0.48
EPHB4 P54760 1/20 0.48
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PIK3CG P48736 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.47
KDR P35968 2/20 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
SCHEMBL1095430 0.89 EGFR (0.58) EGFRERBB2LMNAMAPTKDR
SCHEMBL1105293 0.87 EGFR (0.77) EGFRERBB2TP53KDR
SCHEMBL5001612 0.87 EGFR (0.77) EGFRERBB2TP53KDR
SCHEMBL1096546 0.85 EGFR (0.65) EGFRERBB2
SCHEMBL1094939 0.84 EGFR (0.61) EGFRERBB2TP53MAPT
SCHEMBL1096240 0.82 EGFR (1.00) EGFRERBB2
SCHEMBL5520681 0.82 EGFR (0.77) EGFRERBB2
SCHEMBL1096352 0.82 EGFR (0.51) EGFRERBB2TP53LMNAMAPT
SCHEMBL5529252 0.82 EGFR (0.80) EGFRERBB2EPHB4KDR
Hydrochloric Acid SCHEMBL4738802 0.82 EGFR (0.98) 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 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 1201/4885ERBB2 124/4885PIP4K2A 540/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ERBB2 124/4885PIP4K2A 540/4885

“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.