SCHEMBL4101571

SCHEMBL4101571

Nc1ncc(-c2cccc(-c3cc4ccccc4[nH]3)c2)c(NCCCN2C=NCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VCP P55072 18/20 0.40
IRAK4 Q9NWZ3 2/20 0.37

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
SCHEMBL4107181 0.87 HRH3 (0.48) VCPIRAK4
SCHEMBL4108114 0.86 HRH3 (0.50) VCPIRAK4
SCHEMBL4107222 0.85 VCP (0.53) VCPIRAK4
SCHEMBL4112193 0.85 VCP (0.49) VCPIRAK4
SCHEMBL4121589 0.85 VCP (0.41) VCPIRAK4
SCHEMBL4107259 0.85 CDK5 (0.40) IRAK4
SCHEMBL4082906 0.85 VCP (0.54) VCPIRAK4
SCHEMBL4112439 0.84 VCP (0.40) VCPIRAK4
SCHEMBL4101575 0.84 VCP (0.41) VCPIRAK4
SCHEMBL4108348 0.84 VCP (0.44) VCPIRAK4

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 VCP 930/4885IRAK4 1916/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH VCP 930/4885IRAK4 1916/4885

“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.