SCHEMBL4428794

SCHEMBL4428794

NC(=O)C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL4428781 0.82 LMNA (0.58) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL16509336 0.81 MAPT (0.58) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL4428749 0.80 ALDH1A1 (0.60) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL3939129 0.80 NPSR1 (0.69) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL14050551 0.79 LMNA (0.55) LMNAALDH1A1NPSR1MAPTHPGD
Hydrochloric Acid SCHEMBL5015202 0.79 NPSR1 (0.67) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL4431573 0.78 MEN1 (0.57) LMNANPC1ALDH1A1MAPTKMT2A
SCHEMBL31692132 0.78 TSHR (0.47) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL30274155 0.74 POLB (0.43) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL496751 0.71 TSHR (0.61) LMNAALDH1A1KMT2ASMN1; SMN2MEN1

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 3297/4885NPC1 4335/4885ALDH1A1 3032/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 LMNA 3616/4885NPC1 4082/4885ALDH1A1 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.