SCHEMBL1097149

SCHEMBL1097149

COc1ccc(Nc2ccc(Nc3cc(N)ncn3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
RAB9A P51151 5/20 0.69
NPC1 O15118 3/20 0.69
SCN9A Q15858 1/20 0.64
EGFR P00533 5/20 0.57
NR4A1 P22736 1/20 0.56
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL10187337 0.98 MEN1 (0.81) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL12485614 0.82 MEN1 (0.87) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL856014 0.81 MEN1 (0.78) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL4109259 0.80 MEN1 (0.66) MEN1KMT2ARAB9ANPC1NR4A1
SCHEMBL3182550 0.80 MEN1 (0.66) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL13064955 0.80 CDK5 (0.61) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL30046349 0.79 SCN9A (0.76) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL374428 0.78 MEN1 (0.51) MEN1KMT2ARAB9ANPC1SCN9A
SCHEMBL13834481 0.78 MEN1 (0.79) MEN1KMT2ARAB9ANPC1EGFR
SCHEMBL12486513 0.78 MEN1 (0.79) MEN1KMT2ARAB9ANPC1EGFR

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 6 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
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 MEN1 4108/4885KMT2A 1911/4885RAB9A 3964/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MEN1 4108/4885KMT2A 1911/4885RAB9A 3964/4885

“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.