SCHEMBL4100511

SCHEMBL4100511

COc1cccc(-c2cnc(N)nc2NCCCN2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 4/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
HIF1A Q16665 1/20 0.52
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
CYP2C19 P33261 3/20 0.44
JAK2 O60674 1/20 0.43
SYK P43405 1/20 0.43
FGFR1 P11362 3/20 0.43
KDR P35968 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 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
SCHEMBL4107232 0.98 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4108294 0.94 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4108169 0.93 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4078662 0.91 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4113283 0.90 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4107360 0.90 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4107291 0.89 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4110711 0.89 TLR8 (0.46) ADORA1IRAK4FGFR1KDRTLR7
SCHEMBL4082558 0.87 ADORA2A (0.51) CYP1A2CYP3A4CYP2D6LMNAHSD17B10
SCHEMBL4112016 0.87 ADORA2A (0.47) CYP1A2CYP3A4CYP2D6LMNAHSD17B10

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.