SCHEMBL1095394

SCHEMBL1095394

Nc1ncnc(Nc2ccc(OC(F)F)cc2)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
ROCK1 Q13464 1/20 0.46
ERBB2 P04626 3/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
TTBK1 Q5TCY1 3/20 0.41
TTBK2 Q6IQ55 3/20 0.41
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
DRD1 P21728 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
TEAD4 Q15561 1/20 0.38
JAK2 O60674 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
SCHEMBL1105251 0.84 EGFR (0.62) EGFRERBB2KIT
SCHEMBL5002029 0.84 EGFR (0.62) EGFRERBB2KIT
SCHEMBL1094395 0.83 CCNA2 (0.53) EGFRERBB2TTBK1TTBK2CCNA2
SCHEMBL1096787 0.82 CCNA2 (0.52) EGFRERBB2TTBK1TTBK2CCNA2
SCHEMBL30062528 0.81 ROCK1 (0.50) EGFRROCK1RAF1BRAFTTBK1
SCHEMBL1095605 0.81 EGFR (0.50) EGFRERBB2TTBK1TTBK2MAPT
SCHEMBL1095638 0.81 EGFR (0.56) EGFRERBB2TTBK1TTBK2MAPT
SCHEMBL1095080 0.78 EGFR (0.56) EGFRERBB2TTBK1TTBK2KMT2A
SCHEMBL1095423 0.78 EGFR (0.59) EGFRROCK1ERBB2TTBK1TTBK2
SCHEMBL4734704 0.78 EGFR (0.58) EGFRROCK1ERBB2TTBK1TTBK2

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 1201/4885ROCK1 487/4885ERBB2 124/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885ROCK1 487/4885ERBB2 124/4885

“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.