SCHEMBL1095076

SCHEMBL1095076

Nc1ncnc(Nc2ccc(C3CCCCC3)cc2)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ NPY5R Q15761 1/20 0.41
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ ERBB2 P04626 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PIP4K2A P48426 3/20 0.37
▸ PIP4K2C Q8TBX8 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL1105354 0.84 FLT3 (0.59) EGFRFLT3ERBB2
SCHEMBL4783853 0.84 FLT3 (0.59) EGFRFLT3ERBB2
SCHEMBL1095423 0.77 EGFR (0.59) EGFRERBB2MAPTALDH1A1HTT
SCHEMBL1095605 0.77 EGFR (0.50) EGFRERBB2SMN1; SMN2MAPTMKNK1
SCHEMBL1095080 0.77 EGFR (0.56) EGFRERBB2LMNAALDH1A1MKNK1
SCHEMBL4734704 0.77 EGFR (0.58) EGFRERBB2MAPTMAPK1
SCHEMBL1095645 0.75 EGFR (0.57) EGFRCDK2ERBB2SMN1; SMN2MAPT
SCHEMBL1094395 0.74 CCNA2 (0.53) EGFRCCNA2CDK2CCNA1ERBB2
SCHEMBL1095650 0.74 EGFR (0.53) EGFRCCNA2CDK2CCNA1ERBB2
SCHEMBL1094919 0.74 EGFR (0.50) EGFRFLT3ERBB2SMN1; SMN2MAPT

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 1201/4885FLT3 101/4885NPY5R 3918/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885FLT3 101/4885NPY5R 3918/4885

“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.

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