SCHEMBL4118857

SCHEMBL4118857

COc1cccc(-c2cccc(-c3cnc(N)nc3NCCCN3CCOCC3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.64
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2D6 P10635 3/20 0.64
TP53 P04637 2/20 0.64
LMNA P02545 1/20 0.64
ALOX15 P16050 1/20 0.64
HIF1A Q16665 1/20 0.64
IRAK4 Q9NWZ3 3/20 0.60
ALDH1A1 P00352 7/20 0.56
USP2 O75604 3/20 0.56
CLK4 Q9HAZ1 2/20 0.56
IRAK1 P51617 1/20 0.53
CYP2C19 P33261 1/20 0.53
MKNK1 Q9BUB5 1/20 0.50
PIK3CG P48736 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 4/20 0.48

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
SCHEMBL4107360 0.92 CYP1A2 (0.52) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4107291 0.91 CYP1A2 (0.52) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4078662 0.90 CYP1A2 (0.54) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4100258 0.90 IRAK4 (0.62) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4101879 0.89 HSD17B10 (0.54) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4107232 0.89 CYP1A2 (0.50) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4121742 0.89 IRAK4 (0.62) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4113283 0.89 CYP1A2 (0.53) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4106556 0.88 ADORA2A (0.49) HSD17B10CYP1A2CYP3A4CYP2D6TP53
SCHEMBL4107081 0.87 IRAK4 (0.60) HSD17B10CYP1A2CYP3A4CYP2D6TP53

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 HSD17B10 4423/4885CYP1A2 3383/4885CYP3A4 3766/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH HSD17B10 4423/4885CYP1A2 3383/4885CYP3A4 3766/4885

“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.