SCHEMBL8516347

SCHEMBL8516347

CS(=O)(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
MAPT P10636 3/20 0.47
CYP19A1 P11511 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 1/20 0.42
POLB P06746 1/20 0.41
FKBP1A P62942 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
SCHEMBL8514913 0.94 MAPT (0.46) ACHEMAPTCYP19A1ALDH1A1KMT2A
SCHEMBL2988156 0.83 ACHE (0.48) ACHEMAPTCYP19A1ALDH1A1KMT2A
SCHEMBL8516146 0.77 ESR1 (0.40) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL2994667 0.77 ACHE (0.43) ACHEMAPTCYP19A1ALDH1A1KMT2A
SCHEMBL2986907 0.75 ALDH1A1 (0.67) ACHEMAPTCYP19A1ALDH1A1KMT2A
SCHEMBL25230802 0.74 ALDH1A1 (0.51) ACHEMAPTALDH1A1KMT2AMEN1
SCHEMBL3610878 0.73 NPC1 (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL3610883 0.73 NPC1 (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL4424908 0.73 LMNA (0.48) ACHEMAPTCYP19A1ALDH1A1KMT2A
SCHEMBL9299671 0.71 KMT2A (0.49) ACHEMAPTALDH1A1KMT2AMEN1

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 ACHE 2162/4885MAPT 1989/4885CYP19A1 2988/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 ACHE 2051/4885MAPT 1489/4885CYP19A1 2527/4885

“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.