SCHEMBL2116830

SCHEMBL2116830

CN(C)CCCNc1nc(N)ncc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.41
POLB P06746 1/20 0.41
STK17B O94768 1/20 0.41
DHFR P00374 1/20 0.41
FLT3 P36888 3/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
TLR8 Q9NR97 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK9 P50750 1/20 0.39
MAP4K4 O95819 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL3447676 0.93 STK17A (0.40) STK17APOLBSTK17BFLT3PIM1
SCHEMBL3449748 0.92 RPS6KA3 (0.40) STK17APOLBSTK17BDHFRFLT3
SCHEMBL2114718 0.90 DHFR (0.52) STK17APOLBSTK17BDHFRPIM1
SCHEMBL2117058 0.90 FLT3 (0.44) POLBFLT3PIM1PIM3PIM2
SCHEMBL2117070 0.88 TP53 (0.48) STK17APOLBSTK17BDHFRPIM1
SCHEMBL2115771 0.85 DHFR (0.53) POLBDHFRRETKIF5BKDM4E
SCHEMBL2117065 0.85 CHEK1 (0.40) STK17APOLBSTK17BDHFRPIM1
SCHEMBL13310789 0.83 STK17A (0.63) STK17ASTK17BMAPK1
SCHEMBL3449757 0.83 STK17A (0.42) STK17APOLBSTK17BFLT3TLR8
SCHEMBL2112549 0.83 DHFR (0.53) POLBDHFRTLR8KDM4EMAPT

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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
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 STK17A 651/4885POLB 2589/4885STK17B 696/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG STK17A 651/4885POLB 2589/4885STK17B 696/4885

“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.