SCHEMBL1095145

SCHEMBL1095145

Nc1ncnc(Nc2cccc3c2CCCC3)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
CCR4 P51679 1/20 0.40
ZAP70 P43403 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
MEN1 O00255 1/20 0.38
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNK18 Q7Z418 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SHMT2 P34897 1/20 0.38
ERBB2 P04626 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14467210 0.85 EGFR (0.54) EGFRCCR4ZAP70ALDH1A1HTT
SCHEMBL4784224 0.84 EGFR (0.58) EGFRCCR4ERBB2
SCHEMBL1105369 0.84 EGFR (0.58) EGFRCCR4ERBB2
SCHEMBL1095674 0.82 EGFR (0.58) EGFRNISCHERBB2
SCHEMBL1105418 0.82 EGFR (0.58) EGFRNISCHERBB2
SCHEMBL4734673 0.76 EGFR (0.48) EGFRALDH1A1KDM4EHTTLMNA
SCHEMBL1094892 0.75 EGFR (0.47) EGFRLMNANISCHMEN1KMT2A
SCHEMBL1096423 0.74 EGFR (0.54) EGFRCCR4ALDH1A1KDM4EL3MBTL1
SCHEMBL2453876 0.73 ALDH1A1 (0.39) EGFRALDH1A1SMN1; SMN2
SCHEMBL8929386 0.72 EGFR (0.62) EGFR

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 1201/4885CCR4 3306/4885ZAP70 155/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885CCR4 3306/4885ZAP70 155/4885

“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.