SCHEMBL1095089

SCHEMBL1095089

COc1cc(Nc2cc(N)ncn2)ccc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SCN9A Q15858 1/20 0.52
EGFR P00533 7/20 0.51
ERBB3 P21860 5/20 0.51
RIPK2 O43353 1/20 0.48
EPHB2 P29323 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL30046349 0.81 SCN9A (0.76) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL1094303 0.79 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL15486050 0.78 USP2 (0.60) ALDH1A1LMNAMAPK1HSD17B10USP2
SCHEMBL15492304 0.78 USP2 (0.64) ALDH1A1LMNAMAPK1HSD17B10USP2
SCHEMBL2946975 0.76 EGFR (0.71) EGFRRIPK2EPHB2ABCG2
SCHEMBL1095313 0.76 EGFR (0.58) MEN1KMT2AEGFRRIPK2EPHB2
SCHEMBL14467422 0.76 EGFR (0.50) MEN1KMT2AEGFRRIPK2EPHB2
SCHEMBL9929561 0.75 SCN9A (0.56) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL16792424 0.75 TTR (0.54) MEN1KMT2ARAB9AEGFRRIPK2
SCHEMBL10187337 0.75 MEN1 (0.81) MEN1KMT2ANPC1RAB9ASCN9A

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 1911/4885NPC1 3374/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MEN1 4108/4885KMT2A 1911/4885NPC1 3374/4885

“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.