SCHEMBL4096727

SCHEMBL4096727

CS(=O)(=O)Nc1cccc(-c2cc(Nc3ccc(N)cc3)ncn2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.82
CYP3A4 P08684 8/20 0.82
CYP2C19 P33261 6/20 0.82
CYP2C9 P11712 5/20 0.82
CLK4 Q9HAZ1 4/20 0.82
CYP2D6 P10635 4/20 0.82
USP2 O75604 3/20 0.82
TSHR P16473 2/20 0.82
CCNT1 O60563 4/20 0.67
CDK9 P50750 4/20 0.67
HSD17B10 Q99714 5/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 4/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
KDM4E B2RXH2 2/20 0.58
HIF1A Q16665 2/20 0.58
HPGD P15428 1/20 0.58
BACE1 P56817 5/20 0.57
ABL1 P00519 2/20 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
SCHEMBL4109231 0.88 CCNT1 (0.77) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL4096722 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL4108631 0.84 BACE1 (0.81) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL8516577 0.83 CYP1A2 (0.86) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL8513621 0.81 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL17022942 0.81 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL4101898 0.80 CCNT1 (1.00) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL6532132 0.79 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL8515965 0.79 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C19CYP2C9CLK4
SCHEMBL8515866 0.79 CYP3A4 (0.70) CYP1A2CYP3A4CYP2C19CYP2C9CLK4

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 5 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-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 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 (1 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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CYP1A2 4521/4885CYP3A4 4829/4885CYP2C19 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.