SCHEMBL4104097

SCHEMBL4104097

CSc1ccc(-c2cc(Nc3ccc(N)cc3)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FAAH O00519 1/20 0.48
ROCK1 Q13464 1/20 0.48
ABL1 P00519 6/20 0.47
BCR P11274 6/20 0.47
CCNT1 O60563 5/20 0.46

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
SCHEMBL4104093 0.84 ABL1 (0.64) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL4665672 0.82 CYP1A2 (0.69) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL4666194 0.81 TP53 (0.61) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL4109259 0.81 MEN1 (0.66) MEN1KMT2AABL1BCR
SCHEMBL4103913 0.79 CYP1A2 (0.52) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL1894703 0.78 SCN9A (0.49) MEN1KMT2AROCK1ABL1BCR
SCHEMBL4108866 0.77 CYP1A2 (0.56) CYP1A2CLK4TP53MEN1USP2
SCHEMBL3399322 0.75 ABL1 (0.77) MAPK1ABL1BCRMAPT
SCHEMBL16373642 0.75 CYP1A2 (0.50) CYP1A2CYP2C9CLK4TP53MEN1
SCHEMBL4117234 0.72 ABL1 (0.69) CYP1A2CYP2C9CLK4TP53USP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US 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-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
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 (1 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-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CYP1A2 4521/4885CYP2C9 4827/4885CLK4 235/4885

“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.