SCHEMBL4120931

SCHEMBL4120931

Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.53
TDO2 P48775 2/20 0.49
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
PIK3CG P48736 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
IRAK1 P51617 1/20 0.46
ACP1 P24666 2/20 0.45
LRRK2 Q5S007 1/20 0.44
LMNA P02545 3/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL4112182 0.92 ACP1 (0.45) IRAK4ACP1HRH3
SCHEMBL4120199 0.91 ACP1 (0.46) IRAK4ACP1HRH3
SCHEMBL4106463 0.91 TDO2 (0.47) IRAK4TDO2ACP1
SCHEMBL4117379 0.91 FGFR1 (0.49) IRAK4
SCHEMBL4100647 0.90 IRAK4 (0.53) IRAK4TP53ALOX15MAPK1TSHR
SCHEMBL4100394 0.89 CDK5 (0.42) IRAK4TDO2IRAK1
SCHEMBL4099475 0.87 TDO2 (0.42) IRAK4TDO2
SCHEMBL4100258 0.86 IRAK4 (0.62) IRAK4TP53ALOX15MAPK1TSHR
SCHEMBL4107261 0.86 CDK5 (0.40) IRAK4TDO2IRAK1
SCHEMBL4082906 0.85 VCP (0.54) IRAK4TP53ALOX15MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 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 (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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH IRAK4 1916/4885TDO2 2576/4885TP53 3067/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885TDO2 2576/4885TP53 3067/4885

“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.