SCHEMBL2115039

SCHEMBL2115039

CN(C)CCCCc1cnc(Nc2ccc(Cl)cc2Cl)nc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PLK1 P53350 9/20 0.40
PDGFRB P09619 8/20 0.40
KDR P35968 8/20 0.40
PLK3 Q9H4B4 8/20 0.40
KIT P10721 5/20 0.40
FGFR1 P11362 5/20 0.40
FLT3 P36888 5/20 0.40
CCR4 P51679 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2116812 0.97 PLK1 (0.43) PIK3CGPIK3CAPIK3CBPLK1PDGFRB
SCHEMBL2114106 0.92 PIK3CG (0.43) PIK3CGPIK3CAPIK3CBPLK1PDGFRB
SCHEMBL2113545 0.91 PLK1 (0.46) PLK1PDGFRBKDRPLK3KIT
SCHEMBL2112977 0.88 PLK1 (0.49) PLK1PDGFRBKDRPLK3KIT
SCHEMBL2113295 0.87 IGF1R (0.43) PLK1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL2115008 0.84 HRH3 (0.46) PLK1PDGFRBKDRPLK3
SCHEMBL2116827 0.83 KDR (0.44) PLK1PDGFRBKDRPLK3KIT
SCHEMBL2113595 0.83 IGF1R (0.44) PLK1PDGFRBKDRPLK3KIT
SCHEMBL2113363 0.83 LMNA (0.47) PLK1KDRFGFR1
SCHEMBL4199140 0.82 KDM4E (0.41) PIK3CGPIK3CAPIK3CBCCR4KDM4E

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 PIK3CG 137/4885PIK3CA 293/4885PIK3CB 175/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG PIK3CG 137/4885PIK3CA 293/4885PIK3CB 175/4885

“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.