SCHEMBL4104463

SCHEMBL4104463

CS(=O)(=O)c1cccc(Nc2cc(-c3ccccc3N)ncn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.62
CDK9 P50750 6/20 0.62
TNNI3K Q59H18 10/20 0.60
MAP4K4 O95819 2/20 0.54
CDK1 P06493 2/20 0.54
CDK4 P11802 2/20 0.54
CCNB1 P14635 2/20 0.54
CCND1 P24385 2/20 0.54
ABL2 P42684 2/20 0.54
GSK3A P49840 2/20 0.54
CDK7 P50613 2/20 0.54
CCNH P51946 2/20 0.54
MNAT1 P51948 2/20 0.54
ROCK1 Q13464 1/20 0.54
EGFR P00533 2/20 0.52
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51

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
SCHEMBL4108913 0.86 CCNT1 (0.62) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL4101973 0.84 CDK9 (0.82) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL4108822 0.81 CDK9 (0.65) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL4117487 0.81 CCNT1 (0.67) CCNT1CDK9TNNI3KROCK1EGFR
SCHEMBL4108872 0.80 CDK9 (0.63) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL8515993 0.80 CDK9 (0.66) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL4117403 0.80 CDK9 (0.65) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL14558181 0.79 CYP1A2 (0.52) CCNT1CDK9MAP4K4CDK1CDK4
SCHEMBL4108973 0.76 CDK9 (1.00) CCNT1CDK9TNNI3KMAP4K4CDK1
SCHEMBL4109342 0.76 CDK9 (0.67) CCNT1CDK9TNNI3KMAP4K4CDK1

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 137/4885TNNI3K 573/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CCNT1 81/4885CDK9 97/4885TNNI3K 119/4885

“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.