SCHEMBL4103269

SCHEMBL4103269

COc1ccccc1-c1cc(NCc2ccc(S(C)(=O)=O)cc2)ncn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.75
CYP1A2 P05177 12/20 0.75
CYP2C19 P33261 12/20 0.75
TSHR P16473 11/20 0.75
MAPK1 P28482 9/20 0.75
CLK4 Q9HAZ1 8/20 0.75
HIF1A Q16665 7/20 0.75
HSD17B10 Q99714 6/20 0.75
TP53 P04637 6/20 0.75
ALDH1A1 P00352 4/20 0.75
CYP2C9 P11712 3/20 0.75
CYP3A4 P08684 8/20 0.65
LMNA P02545 4/20 0.65
KDM4E B2RXH2 2/20 0.64
ALOX15 P16050 2/20 0.59
USP2 O75604 2/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CDK9 P50750 7/20 0.54
CCNT1 O60563 6/20 0.54

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
SCHEMBL4109458 0.90 CYP2D6 (0.73) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL4103907 0.83 USP2 (0.72) CYP2D6CYP1A2CYP2C19CLK4HSD17B10
SCHEMBL4113723 0.83 CYP1A2 (0.84) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL4111342 0.82 CYP2D6 (0.82) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL4760653 0.82 CYP2D6 (0.71) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL2028318 0.79 CDK9 (0.66) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL4097361 0.78 CYP1A2 (1.00) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL28262374 0.77 CYP2D6 (0.69) CYP2D6CYP1A2CYP2C19TSHRMAPK1
SCHEMBL4101973 0.77 CDK9 (0.82) CYP2D6CYP1A2CYP2C19CLK4HSD17B10
SCHEMBL4109229 0.77 CDK9 (0.69) CYP2D6CYP1A2CYP2C19TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 EP claimed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 WO claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 CYP2D6 2758/4885CYP1A2 4187/4885CYP2C19 3092/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CYP2D6 4660/4885CYP1A2 4521/4885CYP2C19 4634/4885

“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.