SCHEMBL4120199

SCHEMBL4120199

Nc1ncc(-c2cccc(-c3c[nH]c4ccccc34)c2)c(NCCCN2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.46
IRAK4 Q9NWZ3 1/20 0.42
SMYD2 Q9NRG4 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CLK1 P49759 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
ADRA1D P25100 1/20 0.40

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 0.99 ACP1 (0.45) ACP1IRAK4SMYD2HRH3CLK1
SCHEMBL4106463 0.92 TDO2 (0.47) ACP1IRAK4CLK1CDK5CDK5R1
SCHEMBL4117379 0.92 FGFR1 (0.49) IRAK4CLK1CDK5CDK5R1HTR1A
SCHEMBL4120931 0.91 IRAK4 (0.53) ACP1IRAK4HRH3
SCHEMBL4100394 0.90 CDK5 (0.42) IRAK4CLK1CDK5CDK5R1HTR1A
SCHEMBL4099475 0.89 TDO2 (0.42) IRAK4CLK1CDK5CDK5R1HTR1A
SCHEMBL4107261 0.87 CDK5 (0.40) IRAK4CLK1CDK5CDK5R1HTR1A
SCHEMBL4107204 0.87 CLK1 (0.40) IRAK4CLK1CDK5CDK5R1
SCHEMBL4107259 0.86 CDK5 (0.40) IRAK4CLK1CDK5CDK5R1
SCHEMBL4108114 0.84 HRH3 (0.50) ACP1IRAK4HRH3

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 4 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
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 ACP1 831/4885IRAK4 1916/4885SMYD2 1942/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ACP1 831/4885IRAK4 1916/4885SMYD2 1942/4885

“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.