SCHEMBL4107262

SCHEMBL4107262

Nc1ncc(-c2cccc(Cl)c2)c(NCCCN2CC=CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.50
ADORA1 P30542 4/20 0.47
ADORA2A P29274 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
IRAK4 Q9NWZ3 4/20 0.43
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41
IRAK1 P51617 4/20 0.41
HRH4 Q9H3N8 1/20 0.39
SYK P43405 1/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 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
SCHEMBL4110576 0.98 DHFR (0.48) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4118866 0.90 DHFR (0.50) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4115440 0.88 DHFR (0.46) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4100252 0.88 IRAK4 (0.49) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4101836 0.88 FGFR1 (0.52) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4078984 0.88 ADORA1 (0.47) ADORA1IRAK4IRAK1FGFR1KDR
SCHEMBL4120078 0.88 QPCT (0.42) DHFRIRAK4IRAK1SYKFGFR1
SCHEMBL3978332 0.87 SMN1; SMN2 (0.59) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4082424 0.87 IRAK4 (0.48) DHFRADORA1ADORA2ASMN1; SMN2IRAK4
SCHEMBL4109415 0.86 DHFR (0.45) DHFRADORA1ADORA2ASMN1; SMN2IRAK4

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 1013/4885ADORA1 303/4885ADORA2A 341/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885ADORA1 303/4885ADORA2A 341/4885

“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.