SCHEMBL4121589

SCHEMBL4121589

Nc1ncc(-c2cccc(-c3cc4ccccc4[nH]3)c2)c(NCCCN2CC=CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCP P55072 11/20 0.41
IRAK4 Q9NWZ3 4/20 0.39
HRH3 Q9Y5N1 1/20 0.38
IRAK1 P51617 4/20 0.37
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36

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 0.91 HRH3 (0.48) VCPIRAK4HRH3FGFR1KDR
SCHEMBL4108114 0.90 HRH3 (0.50) VCPIRAK4HRH3FGFR1KDR
SCHEMBL4115467 0.90 VCP (0.37) VCPIRAK4IRAK1
SCHEMBL4101575 0.90 VCP (0.41) VCPIRAK4HRH3
SCHEMBL4107222 0.90 VCP (0.53) VCPIRAK4HRH3FGFR1KDR
SCHEMBL4112193 0.90 VCP (0.49) VCPIRAK4HRH3FGFR1KDR
SCHEMBL4082906 0.89 VCP (0.54) VCPIRAK4IRAK1
SCHEMBL4108348 0.88 VCP (0.44) VCPIRAK4HRH3FGFR1KDR
SCHEMBL4101571 0.85 VCP (0.40) VCPIRAK4
SCHEMBL4112439 0.84 VCP (0.40) VCPIRAK4HRH3IRAK1KDR

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 3 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

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 1916/4885HRH3 3345/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH VCP 930/4885IRAK4 1916/4885HRH3 3345/4885

“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.