SCHEMBL4100417

SCHEMBL4100417

Cc1cccc(-c2cccc(-c3cnc(N)nc3NCCCN3CCNC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.45
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
IRAK1 P51617 8/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
ACP1 P24666 1/20 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
SCHEMBL4112412 0.98 ADORA1 (0.43) IRAK4ADORA1KDM4EMEN1ALDH1A1
SCHEMBL4107200 0.94 IRAK4 (0.49) IRAK4ADORA1KDM4EMEN1ALDH1A1
SCHEMBL4110711 0.93 TLR8 (0.46) IRAK4ADORA1KDM4EMEN1ALDH1A1
SCHEMBL4108169 0.89 CYP1A2 (0.47) IRAK4ADORA1ALDH1A1IRAK1FGFR1
SCHEMBL4121407 0.89 DHFR (0.44) IRAK4ADORA1IRAK1KDR
SCHEMBL4109688 0.89 IRAK4 (0.43) IRAK4IRAK1FGFR1KDRACP1
SCHEMBL4106533 0.89 IRAK4 (0.43) IRAK4IRAK1FGFR1KDR
SCHEMBL4117536 0.89 IRAK4 (0.44) IRAK4IRAK1FGFR1KDR
SCHEMBL4100539 0.88 IRAK4 (0.51) IRAK4ADORA1KDM4EMEN1ALDH1A1
SCHEMBL4108294 0.87 CYP1A2 (0.48) IRAK4ADORA1ALDH1A1TLR7FGFR1

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 1916/4885ADORA1 303/4885KDM4E 981/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885ADORA1 303/4885KDM4E 981/4885

“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.