SCHEMBL8516346

SCHEMBL8516346

O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP19A1 P11511 1/20 0.44
EPHX2 P34913 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
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
SCHEMBL8514487 0.99 POLB (0.64) POLBEPHX1TSHRKDM4EALDH1A1
SCHEMBL8514911 0.95 POLB (0.54) POLBEPHX1TSHRKDM4EALDH1A1
SCHEMBL2988155 0.83 MAPT (0.53) POLBEPHX1KDM4EALDH1A1KMT2A
SCHEMBL10494730 0.82 EPHX1 (0.53) POLBEPHX1KDM4EALDH1A1KMT2A
SCHEMBL13722628 0.80 POLB (0.59) POLBEPHX1TSHRKDM4EALDH1A1
SCHEMBL5489641 0.79 TSHR (0.56) POLBTSHRKDM4EALDH1A1KMT2A
SCHEMBL8516144 0.78 LMNA (0.41) KDM4EALDH1A1KMT2ACYP19A1MAPT
SCHEMBL30047158 0.77 TSHR (0.54) POLBTSHRALDH1A1KMT2AMEN1
SCHEMBL2986904 0.77 TSHR (0.54) POLBTSHRALDH1A1KMT2AMEN1
SCHEMBL2994663 0.77 GAA (0.47) POLBEPHX1TSHRALDH1A1KMT2A

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
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
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 915/4885EPHX1 1962/4885TSHR 4602/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 POLB 803/4885EPHX1 1955/4885TSHR 4626/4885

“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.