SCHEMBL4078710

SCHEMBL4078710

Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2CC=CN2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.40
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
IRAK4 Q9NWZ3 3/20 0.37
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAP3K14 Q99558 1/20 0.35
IRAK1 P51617 4/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ASH1L Q9NR48 1/20 0.35
TDO2 P48775 2/20 0.35

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
SCHEMBL4100394 0.90 CDK5 (0.42) CLK1CDK5CDK5R1IRAK4GSK3B
SCHEMBL4112980 0.85 DHFR (0.41) IRAK4IRAK1
SCHEMBL4107204 0.85 CLK1 (0.40) CLK1CDK5CDK5R1IRAK4GSK3B
SCHEMBL4107261 0.85 CDK5 (0.40) CLK1CDK5CDK5R1IRAK4GSK3B
SCHEMBL4115467 0.85 VCP (0.37) IRAK4GSK3BIRAK1
SCHEMBL4112182 0.84 ACP1 (0.45) CLK1CDK5CDK5R1IRAK4
SCHEMBL4120199 0.84 ACP1 (0.46) CLK1CDK5CDK5R1IRAK4
SCHEMBL4107116 0.84 IRAK4 (0.41) IRAK4IRAK1
SCHEMBL4117379 0.83 FGFR1 (0.49) CLK1CDK5CDK5R1IRAK4
SCHEMBL4106463 0.83 TDO2 (0.47) CLK1CDK5CDK5R1IRAK4TDO2

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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
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
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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 CLK1 718/4885CDK5 69/4885CDK5R1 150/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH CLK1 718/4885CDK5 69/4885CDK5R1 150/4885

“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.