SCHEMBL4121742

SCHEMBL4121742

Cc1cccc(-c2cccc(-c3cnc(N)nc3NCCCN3CCOCC3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.62
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
IRAK1 P51617 2/20 0.54
PIK3CG P48736 1/20 0.51
HSD17B10 Q99714 2/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
EGFR P00533 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL4100258 0.91 IRAK4 (0.62) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4100539 0.91 IRAK4 (0.51) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4112794 0.90 ACP1 (0.52) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4075643 0.89 ACP1 (0.52) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4118857 0.89 HSD17B10 (0.64) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4107200 0.89 IRAK4 (0.49) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4107081 0.89 IRAK4 (0.60) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4120168 0.89 IRAK4 (0.60) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3977385 0.89 IRAK4 (0.60) IRAK4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3971420 0.88 IRAK4 (0.58) IRAK4ALDH1A1KDM4EMEN1KMT2A

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 1916/4885ALDH1A1 4216/4885KDM4E 981/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK4 1916/4885ALDH1A1 4216/4885KDM4E 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.