SCHEMBL2116827

SCHEMBL2116827

CN(C)CCc1cnc(Nc2cc(Cl)ccc2Cl)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.44
PDGFRB P09619 5/20 0.44
PLK1 P53350 5/20 0.44
FGFR1 P11362 4/20 0.44
FLT3 P36888 4/20 0.44
PLK3 Q9H4B4 4/20 0.44
KIT P10721 3/20 0.44
DHFR P00374 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALK Q9UM73 2/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL2112977 0.93 PLK1 (0.49) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2113545 0.92 PLK1 (0.46) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2114106 0.91 PIK3CG (0.43) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2115650 0.86 IGF1R (0.46) KDRDHFRHDAC3HDAC1HDAC2
SCHEMBL5525215 0.84 DHFR (0.39) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2116812 0.84 PLK1 (0.43) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2115039 0.83 PIK3CG (0.40) KDRPDGFRBPLK1FGFR1FLT3
SCHEMBL2114807 0.81 LMNA (0.50) KDRALKCSF1RIGF1RTNK2
SCHEMBL2113337 0.80 TNK2 (0.44) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL2114730 0.79 DHFR (0.42) KDRPDGFRBPLK1PLK3DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KDR 2773/4885PDGFRB 796/4885PLK1 644/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KDR 2773/4885PDGFRB 796/4885PLK1 644/4885

“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.