SCHEMBL4096813

SCHEMBL4096813

COc1cc(F)ccc1-c1cc(Nc2cccc(S(C)(=O)=O)c2)ncn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 16/20 0.69
CCNT1 O60563 13/20 0.69
CDK2 P24941 5/20 0.69
CCNE1 P24864 4/20 0.69
GSK3A P49840 4/20 0.62
MAP4K4 O95819 3/20 0.62
CDK1 P06493 3/20 0.62
CCNB1 P14635 3/20 0.62
ABL2 P42684 3/20 0.62
CDK4 P11802 2/20 0.62
CCND1 P24385 2/20 0.62
CDK7 P50613 2/20 0.62
CCNH P51946 2/20 0.62
MNAT1 P51948 2/20 0.62
CLK4 Q9HAZ1 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL4109342 0.92 CDK9 (0.67) CDK9CCNT1CDK2CCNE1GSK3A
SCHEMBL4101973 0.89 CDK9 (0.82) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL8516163 0.88 CDK9 (0.81) CDK9CCNT1CDK2CCNE1GSK3A
SCHEMBL4104753 0.84 CDK9 (0.59) CDK9CCNT1CDK2CCNE1GSK3A
SCHEMBL2030393 0.84 CDK9 (0.63) CDK9CCNT1CDK2CCNE1GSK3A
SCHEMBL4426442 0.82 CDK9 (0.82) CDK9CCNT1CDK2CCNE1GSK3A
SCHEMBL8515993 0.81 CDK9 (0.66) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL4108822 0.80 CDK9 (0.65) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL4108973 0.80 CDK9 (1.00) CDK9CCNT1CDK2GSK3AMAP4K4
SCHEMBL4103640 0.80 CDK9 (0.76) CDK9CCNT1CDK2GSK3AMAP4K4

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 CDK9 137/4885CCNT1 2075/4885CDK2 266/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CDK9 97/4885CCNT1 81/4885CDK2 21/4885

“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.