SCHEMBL4112500

SCHEMBL4112500

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.50
IRAK4 Q9NWZ3 8/20 0.49
DHFR P00374 1/20 0.44
MAP4K4 O95819 1/20 0.42
IRAK1 P51617 6/20 0.42
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
QPCT Q16769 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
SCHEMBL4105149 0.99 ACP1 (0.52) ACP1IRAK4DHFRMAP4K4IRAK1
SCHEMBL4078120 0.98 ACP1 (0.52) ACP1IRAK4DHFRMAP4K4FGFR1
SCHEMBL4099481 0.97 ACP1 (0.53) ACP1IRAK4DHFRMAP4K4FGFR1
SCHEMBL4107984 0.91 IRAK4 (0.47) ACP1IRAK4DHFRIRAK1FGFR1
SCHEMBL4120168 0.91 IRAK4 (0.60) ACP1IRAK4DHFRIRAK1
SCHEMBL4113143 0.90 IRAK4 (0.44) ACP1IRAK4DHFRIRAK1QPCT
SCHEMBL4107195 0.89 IRAK4 (0.57) ACP1IRAK4IRAK1
SCHEMBL4113272 0.89 IRAK4 (0.44) ACP1IRAK4DHFRIRAK1FGFR1
SCHEMBL4100252 0.88 IRAK4 (0.49) ACP1IRAK4DHFRIRAK1FGFR1
SCHEMBL4100539 0.88 IRAK4 (0.51) ACP1IRAK4IRAK1FGFR1KDR

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 1916/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ACP1 831/4885IRAK4 1916/4885DHFR 1013/4885

“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.