SCHEMBL4109231

SCHEMBL4109231

CS(=O)(=O)Nc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.77
CDK9 P50750 10/20 0.77
CYP1A2 P05177 5/20 0.74
CYP3A4 P08684 5/20 0.74
CYP2C19 P33261 4/20 0.74
CYP2D6 P10635 3/20 0.74
CLK4 Q9HAZ1 3/20 0.74
CYP2C9 P11712 3/20 0.74
TSHR P16473 2/20 0.74
USP2 O75604 2/20 0.74
MAP4K4 O95819 1/20 0.60
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 0.60
CCNB1 P14635 1/20 0.60
CCND1 P24385 1/20 0.60
ABL2 P42684 1/20 0.60
GSK3A P49840 1/20 0.60
CDK7 P50613 1/20 0.60
CCNH P51946 1/20 0.60
MNAT1 P51948 1/20 0.60

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
SCHEMBL4096727 0.88 CYP1A2 (0.82) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL8516577 0.88 CYP1A2 (0.86) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL4101898 0.87 CCNT1 (1.00) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL4117487 0.86 CCNT1 (0.67) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL8513621 0.86 CYP1A2 (0.74) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL2027331 0.84 CCNT1 (0.64) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL8515866 0.83 CYP3A4 (0.70) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL8515965 0.83 CYP1A2 (0.70) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL4104699 0.82 CCNT1 (0.62) CCNT1CDK9CYP1A2CYP3A4CYP2C19
SCHEMBL8516573 0.82 CYP1A2 (0.69) CCNT1CDK9CYP1A2CYP3A4CYP2C19

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 11 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-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO 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
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP 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
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO 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 CCNT1 2075/4885CDK9 137/4885CYP1A2 4187/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CCNT1 81/4885CDK9 97/4885CYP1A2 4521/4885

“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.