SCHEMBL2117058

SCHEMBL2117058

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.44
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TLR8 Q9NR97 2/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAP4K4 O95819 1/20 0.39
POLB P06746 1/20 0.39
SYK P43405 2/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
USP7 Q93009 1/20 0.38
CALCA P06881 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
SCHEMBL2116830 0.90 STK17A (0.41) FLT3PIM1PIM3PIM2TLR8
SCHEMBL2117070 0.84 TP53 (0.48) PIM1PIM3PIM2TLR8RET
SCHEMBL2114718 0.84 DHFR (0.52) PIM1PIM3PIM2TLR8RET
SCHEMBL3447676 0.84 STK17A (0.40) FLT3PIM1PIM3PIM2TLR8
SCHEMBL2115771 0.83 DHFR (0.53) RETKIF5BPOLBCALCA
SCHEMBL3449748 0.82 RPS6KA3 (0.40) FLT3PIM1PIM3PIM2TLR8
SCHEMBL2117065 0.81 CHEK1 (0.40) PIM1PIM3PIM2TLR8RET
SCHEMBL2112549 0.81 DHFR (0.53) TLR8POLBSYK
SCHEMBL2116496 0.76 KMT2A (0.41) FLT3TLR8POLBTLR7
SCHEMBL13310789 0.76 STK17A (0.63)

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 FLT3 1751/4885PIM1 448/4885PIM3 434/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG FLT3 1751/4885PIM1 448/4885PIM3 434/4885

“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.