SCHEMBL4432422

SCHEMBL4432422

CCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 2/20 0.54
S1PR4 O95977 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL2997455 0.88 KMT2A (0.56) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL5623400 0.84 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4828181 0.84 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL14861392 0.83 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL2672665 0.81 MEN1 (0.64) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL2986907 0.80 ALDH1A1 (0.67) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL5813680 0.79 ALDH1A1 (0.58) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL10557732 0.78 GRM2 (0.54) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL10651901 0.78 ALDH1A1 (0.57) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL5461742 0.77 LMNA (0.65) MEN1KMT2ALMNAALDH1A1KDM4E

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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-2137166-B1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2012-05-30 EP disclosed
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 MEN1 4530/4885KMT2A 972/4885LMNA 3297/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 MEN1 4613/4885KMT2A 1138/4885LMNA 3616/4885

“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.