SCHEMBL4117403

SCHEMBL4117403

CS(=O)(=O)c1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 19/20 0.65
CCNT1 O60563 18/20 0.65
MAP4K4 O95819 3/20 0.60
GSK3A P49840 3/20 0.60
CDK1 P06493 2/20 0.60
CDK4 P11802 2/20 0.60
CCNB1 P14635 2/20 0.60
CCND1 P24385 2/20 0.60
ABL2 P42684 2/20 0.60
CDK7 P50613 2/20 0.60
CCNH P51946 2/20 0.60
MNAT1 P51948 2/20 0.60
CDK5 Q00535 2/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CCNA1 P78396 1/20 0.60
CDK5R1 Q15078 1/20 0.60
TNNI3K Q59H18 1/20 0.53
AURKA O14965 1/20 0.50
ABL1 P00519 1/20 0.50

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
SCHEMBL4098058 0.90 CCNT1 (0.74) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4426403 0.88 CCNT1 (0.68) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL8515826 0.88 CDK9 (0.76) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4101973 0.86 CDK9 (0.82) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL2024692 0.86 CDK9 (0.66) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL8515993 0.86 CDK9 (0.66) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4108872 0.86 CDK9 (0.63) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4108822 0.86 CDK9 (0.65) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4108268 0.85 CCNT1 (0.67) CDK9CCNT1MAP4K4GSK3ACDK1
SCHEMBL4438340 0.84 CCNT1 (0.66) CDK9CCNT1MAP4K4GSK3ACDK1

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 18 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
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-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-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-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
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2011-12-15 US disclosed
EP-2137166-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2009-12-30 EP disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed
WO-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO 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 (4 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 CDK9 8/4885CCNT1 45/4885MAP4K4 50/4885
US-20110306602-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK6, CDK2, CDK1 CDK9 7/4885CCNT1 45/4885MAP4K4 49/4885
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 CDK9 137/4885CCNT1 2075/4885MAP4K4 11/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CDK9 97/4885CCNT1 81/4885MAP4K4 79/4885

“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.