SCHEMBL4121407

SCHEMBL4121407

Nc1ncc(-c2cccc(-c3cccc(Cl)c3)c2)c(NCCCN2CCNC2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
IRAK4 Q9NWZ3 10/20 0.43
KDR P35968 1/20 0.43
ADORA1 P30542 3/20 0.42
ADORA2A P29274 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
IRAK1 P51617 8/20 0.41
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL4107698 0.98 DHFR (0.46) DHFRIRAK4KDRADORA1ADORA2A
SCHEMBL4113403 0.94 KDR (0.48) DHFRIRAK4KDRADORA1ADORA2A
SCHEMBL4100417 0.89 IRAK4 (0.45) IRAK4KDRADORA1IRAK1
SCHEMBL4106533 0.89 IRAK4 (0.43) DHFRIRAK4KDRIRAK1
SCHEMBL4109688 0.89 IRAK4 (0.43) DHFRIRAK4KDRIRAK1
SCHEMBL4100252 0.88 IRAK4 (0.49) DHFRIRAK4KDRADORA1ADORA2A
SCHEMBL4108169 0.88 CYP1A2 (0.47) IRAK4ADORA1ADORA2AIRAK1
SCHEMBL4113092 0.87 QPCT (0.41) DHFRIRAK4KDRIRAK1
SCHEMBL4112412 0.87 ADORA1 (0.43) IRAK4KDRADORA1IRAK1
SCHEMBL4082424 0.87 IRAK4 (0.48) DHFRIRAK4KDRADORA1ADORA2A

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 DHFR 1013/4885IRAK4 1916/4885KDR 2801/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885IRAK4 1916/4885KDR 2801/4885

“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.