SCHEMBL1094629

SCHEMBL1094629

CSc1ccccc1Nc1ncnc(N)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KHK P50053 8/20 0.46
EGFR P00533 5/20 0.44
TRPV1 Q8NER1 1/20 0.39
TNNI3K Q59H18 1/20 0.38
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL4736320 0.84 EGFR (0.57) KHKEGFRERBB2
SCHEMBL1105370 0.84 EGFR (0.57) KHKEGFRERBB2
SCHEMBL4734673 0.83 EGFR (0.48) EGFRERBB2ALDH1A1SMN1; SMN2
SCHEMBL1096423 0.78 EGFR (0.54) EGFRERBB2ALDH1A1SMN1; SMN2
SCHEMBL4734704 0.77 EGFR (0.58) EGFRERBB2
SCHEMBL1095082 0.77 EGFR (0.47) EGFRTRPV1ERBB2ALDH1A1
SCHEMBL1094892 0.76 EGFR (0.47) EGFRERBB2
SCHEMBL1096401 0.75 ABCG2 (0.55) EGFRTNNI3KERBB2SMN1; SMN2
SCHEMBL1095423 0.74 EGFR (0.59) EGFRERBB2ALDH1A1
SCHEMBL1095176 0.74 EGFR (0.50) EGFRTNNI3KERBB2

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 KHK 495/4885EGFR 1201/4885TRPV1 4427/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 KHK 495/4885EGFR 1201/4885TRPV1 4427/4885

“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.