SCHEMBL2997455

SCHEMBL2997455

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.47
S1PR4 O95977 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 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
SCHEMBL4432422 0.88 MEN1 (0.58) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL5623400 0.87 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL4828181 0.87 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2999739 0.82 MAPT (0.54) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14861392 0.81 MEN1 (0.57) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2672665 0.79 MEN1 (0.64) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2986907 0.77 ALDH1A1 (0.67) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL17064327 0.77 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2990883 0.76 LMNA (0.40) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL10557732 0.76 GRM2 (0.54) KMT2AMEN1LMNAALDH1A1MAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137164-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-08-26 EP disclosed
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
US-8389521-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-03-05 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
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2010-07-22 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
EP-2137164-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy ASTRAZENECA AB (SE) 2008-11-06 US disclosed
WO-2008129069-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO 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 (4 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 KMT2A 972/4885MEN1 4530/4885LMNA 3297/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 KMT2A 1138/4885MEN1 4613/4885LMNA 3616/4885
US-20100184780-A1 INHIBITORS OF PROTEIN KINASES CDK5, CDK5R1, CDK1 KMT2A 3151/4885MEN1 4442/4885LMNA 2800/4885
US-20080275063-A1 C-{4-[6-(2-Ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-N-propyl-methanesulfonamide; antiinflammatories, antiproliferatives, analgesics; cardiovascular disorders, neurodegenerative diseases; immunotherapy CDK5, CDK5R1, CDK4 KMT2A 1855/4885MEN1 3943/4885LMNA 3252/4885

“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.