SCHEMBL4424908

SCHEMBL4424908

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 8/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 7/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ACHE P22303 1/20 0.46
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2986907 0.81 ALDH1A1 (0.67) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL2995730 0.80 L3MBTL1 (0.49) TSHRALDH1A1KMT2AMEN1HTR2C
SCHEMBL4432422 0.77 MEN1 (0.58) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL9299673 0.77 ALDH1A1 (0.47) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL4430321 0.77 ALDH1A1 (0.47) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL9299671 0.77 KMT2A (0.49) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL2997455 0.75 KMT2A (0.56) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL8514913 0.75 MAPT (0.46) LMNATSHRALDH1A1KMT2AGAA
SCHEMBL1413129 0.74 TSHR (0.61) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL30780918 0.74 TSHR (0.61) LMNATSHRALDH1A1KMT2AMEN1

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 LMNA 3297/4885TSHR 4602/4885ALDH1A1 3032/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 LMNA 3616/4885TSHR 4626/4885ALDH1A1 2564/4885

“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.