SCHEMBL8514487

SCHEMBL8514487

O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 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
SCHEMBL8516346 0.99 POLB (0.62) POLBNPC1RAB9AEPHX1KDM4E
SCHEMBL8514911 0.93 POLB (0.54) POLBEPHX1KDM4EALDH1A1TSHR
SCHEMBL10494730 0.84 EPHX1 (0.53) POLBEPHX1KDM4EALDH1A1EPHX2
SCHEMBL2988155 0.82 MAPT (0.53) POLBEPHX1KDM4EALDH1A1EPHX2
SCHEMBL4437880 0.79 CA1 (0.41) KDM4EALDH1A1EPHX2KMT2ACYP19A1
SCHEMBL13722628 0.79 POLB (0.59) POLBEPHX1KDM4EALDH1A1TSHR
SCHEMBL5489641 0.78 TSHR (0.56) POLBKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL989727 0.77 HSP90AA1 (0.50) EPHX1KDM4EALDH1A1EPHX2L3MBTL1
SCHEMBL8516144 0.77 LMNA (0.41) KDM4EALDH1A1KMT2ACYP19A1
SCHEMBL2986904 0.76 TSHR (0.54) POLBALDH1A1TSHRKMT2AMEN1

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 POLB 915/4885NPC1 4335/4885RAB9A 3844/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 POLB 803/4885NPC1 4082/4885RAB9A 3398/4885

“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.