SCHEMBL4100252

SCHEMBL4100252

Nc1ncc(-c2cccc(-c3cccc(Cl)c3)c2)c(NCCCN2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.49
DHFR P00374 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ACP1 P24666 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KDR P35968 2/20 0.45
IRAK1 P51617 5/20 0.43
HRH3 Q9Y5N1 3/20 0.43
FGFR1 P11362 1/20 0.41

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
SCHEMBL4082424 0.99 IRAK4 (0.48) IRAK4DHFRSMN1; SMN2ACP1ADORA2A
SCHEMBL4118866 0.98 DHFR (0.50) IRAK4DHFRSMN1; SMN2ACP1ADORA2A
SCHEMBL4107081 0.91 IRAK4 (0.60) IRAK4DHFRSMN1; SMN2KDRIRAK1
SCHEMBL4113403 0.91 KDR (0.48) IRAK4DHFRSMN1; SMN2ADORA2AADORA1
SCHEMBL4101836 0.90 FGFR1 (0.52) IRAK4DHFRSMN1; SMN2ADORA2AADORA1
SCHEMBL4110576 0.90 DHFR (0.48) IRAK4DHFRSMN1; SMN2ADORA2AADORA1
SCHEMBL3978332 0.89 SMN1; SMN2 (0.59) IRAK4DHFRSMN1; SMN2ADORA2AADORA1
SCHEMBL4112500 0.88 ACP1 (0.50) IRAK4DHFRACP1KDRIRAK1
SCHEMBL4100539 0.88 IRAK4 (0.51) IRAK4ACP1ADORA1KDRIRAK1
SCHEMBL4107262 0.88 DHFR (0.50) IRAK4DHFRSMN1; SMN2ADORA2AADORA1

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 1013/4885SMN1; SMN2 3836/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885DHFR 1013/4885SMN1; SMN2 3836/4885

“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.