SCHEMBL4113143

SCHEMBL4113143

Nc1ncc(-c2cccc(-c3cccc(F)c3)c2)c(NCCCN2CC=CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.44
DHFR P00374 1/20 0.42
IRAK1 P51617 10/20 0.42
QPCT Q16769 2/20 0.41
ACP1 P24666 1/20 0.39

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
SCHEMBL4120078 0.98 QPCT (0.42) IRAK4DHFRIRAK1QPCTACP1
SCHEMBL4112500 0.90 ACP1 (0.50) IRAK4DHFRIRAK1QPCTACP1
SCHEMBL4105149 0.89 ACP1 (0.52) IRAK4DHFRIRAK1QPCTACP1
SCHEMBL4106600 0.89 IRAK4 (0.42) IRAK4DHFRIRAK1QPCTACP1
SCHEMBL4112210 0.88 IRAK4 (0.47) IRAK4IRAK1ACP1
SCHEMBL4110576 0.88 DHFR (0.48) IRAK4DHFRIRAK1
SCHEMBL4106634 0.88 IRAK4 (0.44) IRAK4DHFRIRAK1
SCHEMBL4078120 0.88 ACP1 (0.52) IRAK4DHFRQPCTACP1
SCHEMBL4107984 0.87 IRAK4 (0.47) IRAK4DHFRIRAK1QPCTACP1
SCHEMBL4120168 0.87 IRAK4 (0.60) IRAK4DHFRIRAK1ACP1

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 IRAK4 1916/4885DHFR 1013/4885IRAK1 1856/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885DHFR 1013/4885IRAK1 1856/4885

“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.