SCHEMBL8514911

SCHEMBL8514911

O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP19A1 P11511 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 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 0.95 POLB (0.62) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL8514487 0.93 POLB (0.64) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL2994663 0.82 GAA (0.47) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL5489641 0.81 TSHR (0.56) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL30047158 0.80 TSHR (0.54) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL2986904 0.80 TSHR (0.54) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL4432418 0.78 CYP1A2 (0.56) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13722884 0.78 POLB (0.55) POLBTSHRKMT2AMEN1CYP1A2
SCHEMBL1937924 0.77 CYP19A1 (0.58) TSHRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2988155 0.77 MAPT (0.53) POLBKMT2AMEN1EPHX1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
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 915/4885TSHR 4602/4885KMT2A 972/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 POLB 803/4885TSHR 4626/4885KMT2A 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.