SCHEMBL4107360

SCHEMBL4107360

COc1cccc(-c2cccc(-c3cnc(N)nc3NCCCN3CCCC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IRAK4 Q9NWZ3 5/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ACP1 P24666 2/20 0.47
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PGK1 P00558 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL4107291 0.99 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4078662 0.98 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4113283 0.97 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4107232 0.92 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4118857 0.92 HSD17B10 (0.64) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4106556 0.90 ADORA2A (0.49) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4100511 0.90 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4082558 0.88 ADORA2A (0.51) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL4100539 0.88 IRAK4 (0.51) IRAK4ADORA1ACP1ALDH1A1FGFR1
SCHEMBL4108169 0.88 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6LMNATP53

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 CYP1A2 3383/4885CYP3A4 3766/4885CYP2D6 3799/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH CYP1A2 3383/4885CYP3A4 3766/4885CYP2D6 3799/4885

“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.