SCHEMBL8514913

SCHEMBL8514913

CS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.44
ACHE P22303 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41

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
SCHEMBL8516347 0.94 ACHE (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2994667 0.82 ACHE (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL25230802 0.79 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2986907 0.77 ALDH1A1 (0.67) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2988156 0.77 ACHE (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4432422 0.77 MEN1 (0.58) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL8515474 0.76 LMNA (0.38) ALDH1A1LMNATSHRCA2SMN1; SMN2
SCHEMBL30878955 0.76 MAPT (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4424908 0.75 LMNA (0.48) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL9299671 0.74 KMT2A (0.49) MAPTALDH1A1KMT2AMEN1LMNA

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 4 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

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 MAPT 1989/4885ALDH1A1 3032/4885KMT2A 972/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 MAPT 1489/4885ALDH1A1 2564/4885KMT2A 1138/4885

“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.