SCHEMBL4101900

SCHEMBL4101900

NC(=O)c1ccc(Nc2cc(-c3cccc(CO)c3)ncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.60
BCR P11274 6/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
CCNT1 O60563 6/20 0.53
CDK9 P50750 6/20 0.53
ADORA2A P29274 1/20 0.48
IRAK4 Q9NWZ3 2/20 0.47
FYN P06241 1/20 0.47
JAK3 P52333 1/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 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
SCHEMBL4104613 0.87 ABL1 (0.58) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4103825 0.87 ABL1 (0.56) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4101905 0.86 CCNT1 (0.60) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4666190 0.84 ABL1 (0.67) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4117227 0.84 ABL1 (0.68) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL22458668 0.81 ABL1 (0.70) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL12907711 0.80 ABL1 (0.69) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4096722 0.79 CYP1A2 (0.76) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL8514905 0.78 CCNT1 (0.61) ABL1BCRMAPTKDM4EMAPK1
SCHEMBL4666050 0.77 ABL1 (0.71) ABL1BCRMAPTKDM4EMAPK1

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 5 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-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

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 ABL1 537/4885BCR 4500/4885MAPT 3014/4885

“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.