SCHEMBL4100539

SCHEMBL4100539

Cc1cccc(-c2cccc(-c3cnc(N)nc3NCCCN3CCCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.51
ACP1 P24666 2/20 0.50
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA1 P30542 1/20 0.46
IRAK1 P51617 6/20 0.44
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43

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
SCHEMBL4112794 0.99 ACP1 (0.52) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4075643 0.98 ACP1 (0.52) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4108173 0.97 ACP1 (0.53) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4121742 0.91 IRAK4 (0.62) IRAK4KDM4EMEN1ALDH1A1POLB
SCHEMBL4107200 0.91 IRAK4 (0.49) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4112210 0.90 IRAK4 (0.47) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4110711 0.89 TLR8 (0.46) IRAK4ACP1KDM4EMEN1ALDH1A1
SCHEMBL4107360 0.88 CYP1A2 (0.52) IRAK4ACP1ALDH1A1ADORA1IRAK1
SCHEMBL4112500 0.88 ACP1 (0.50) IRAK4ACP1IRAK1FGFR1KDR
SCHEMBL4100252 0.88 IRAK4 (0.49) IRAK4ACP1ADORA1IRAK1FGFR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP claimed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
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 1916/4885ACP1 831/4885KDM4E 981/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885ACP1 831/4885KDM4E 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.