SCHEMBL4107261

SCHEMBL4107261

Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2CC=NC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
CLK1 P49759 4/20 0.40
IRAK4 Q9NWZ3 4/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAP3K14 Q99558 1/20 0.35
IRAK1 P51617 1/20 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
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 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) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4112182 0.88 ACP1 (0.45) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4120199 0.87 ACP1 (0.46) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4099475 0.87 TDO2 (0.42) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4117379 0.86 FGFR1 (0.49) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4106463 0.86 TDO2 (0.47) CDK5CDK5R1CLK1IRAK4HTR1A
SCHEMBL4120931 0.86 IRAK4 (0.53) IRAK4IRAK1TDO2
SCHEMBL4078710 0.85 CLK1 (0.40) CDK5CDK5R1CLK1IRAK4GSK3B
SCHEMBL4101575 0.85 VCP (0.41) IRAK4
SCHEMBL4085775 0.84 DHFR (0.43) IRAK4IRAK1FGFR1KDR

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 CDK5 69/4885CDK5R1 150/4885CLK1 718/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH CDK5 69/4885CDK5R1 150/4885CLK1 718/4885

“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.