SCHEMBL4098867

SCHEMBL4098867

COc1ccccc1-c1cc(Nc2cccc(N)c2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 18/20 0.71
CCNT1 O60563 17/20 0.71
MAP4K4 O95819 2/20 0.69
CDK1 P06493 2/20 0.69
CDK4 P11802 2/20 0.69
CCNB1 P14635 2/20 0.69
CCND1 P24385 2/20 0.69
ABL2 P42684 2/20 0.69
GSK3A P49840 2/20 0.69
CDK7 P50613 2/20 0.69
CCNH P51946 2/20 0.69
MNAT1 P51948 2/20 0.69
USP2 O75604 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
CLK4 Q9HAZ1 2/20 0.68
LMNA P02545 1/20 0.68
CYP2D6 P10635 1/20 0.68
ALOX15 P16050 1/20 0.68

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
SCHEMBL4109034 0.88 CCNT1 (0.71) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4108471 0.88 CCNT1 (0.75) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4104588 0.88 USP2 (0.79) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4097326 0.87 ALDH1A1 (0.82) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4239000 0.87 EGFR (0.59) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4240575 0.86 AGPAT2 (0.56) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL15486044 0.85 USP2 (0.72) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL15487442 0.85 USP2 (0.72) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL4113914 0.85 CDK9 (0.71) CDK9CCNT1MAP4K4CDK1CDK4
SCHEMBL2025969 0.85 CCNT1 (0.76) CDK9CCNT1MAP4K4CDK1CDK4

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 12 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
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 2075/4885MAP4K4 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.