SCHEMBL1095506

SCHEMBL1095506

Nc1ncnc(Nc2ccc(Oc3ccc(F)cc3)nc2)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TTBK1 Q5TCY1 2/20 0.45
TTBK2 Q6IQ55 2/20 0.45
EGFR P00533 7/20 0.44
ERBB2 P04626 5/20 0.41
HSPB1 P04792 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
KDR P35968 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
MMP13 P45452 1/20 0.37
PIK3CA P42336 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
SCHEMBL1096971 0.90 EGFR (0.52) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4739523 0.86 EGFR (0.59) KDM4EMEN1KMT2AEGFRERBB2
SCHEMBL1105420 0.86 EGFR (0.59) KDM4EMEN1KMT2AEGFRERBB2
SCHEMBL1095605 0.84 EGFR (0.50) MEN1KMT2ATTBK1TTBK2EGFR
SCHEMBL1095638 0.78 EGFR (0.56) TTBK1TTBK2EGFRERBB2MAPT
SCHEMBL1105359 0.76 EGFR (0.57) EGFRERBB2KDR
SCHEMBL4737774 0.76 EGFR (0.57) EGFRERBB2KDR
SCHEMBL1094395 0.75 CCNA2 (0.53) MEN1KMT2ATTBK1TTBK2EGFR
SCHEMBL1095394 0.75 EGFR (0.47) MEN1KMT2AALDH1A1TTBK1TTBK2
SCHEMBL1096787 0.74 CCNA2 (0.52) KDM4EMEN1KMT2AL3MBTL1TTBK1

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 KDM4E 1680/4885MEN1 4108/4885KMT2A 1911/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 KDM4E 1680/4885MEN1 4108/4885KMT2A 1911/4885

“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.