SCHEMBL2114718

SCHEMBL2114718

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.52
ADORA1 P30542 2/20 0.47
RET P07949 1/20 0.42
KIF5B P33176 1/20 0.42
POLB P06746 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
TLR8 Q9NR97 2/20 0.41
KMO O15229 1/20 0.39
SYK P43405 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
STK17A Q9UEE5 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
STK17B O94768 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
SCHEMBL2117070 0.91 TP53 (0.48) DHFRADORA1RETKIF5BPOLB
SCHEMBL2116830 0.90 STK17A (0.41) DHFRRETKIF5BPOLBPIM1
SCHEMBL2117065 0.87 CHEK1 (0.40) DHFRRETKIF5BPOLBPIM1
SCHEMBL2115771 0.85 DHFR (0.53) DHFRADORA1RETKIF5BPOLB
SCHEMBL2117058 0.84 FLT3 (0.44) RETKIF5BPOLBPIM1PIM3
SCHEMBL3447676 0.84 STK17A (0.40) RETKIF5BPOLBPIM1PIM3
SCHEMBL2112549 0.83 DHFR (0.53) DHFRADORA1POLBTLR8SYK
SCHEMBL3449748 0.82 RPS6KA3 (0.40) DHFRADORA1POLBPIM1PIM3
SCHEMBL2116496 0.79 KMT2A (0.41) POLBTLR8TLR7
SCHEMBL2115299 0.78 DHFR (0.55) DHFRADORA1POLBTP53KDM4E

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 DHFR 1219/4885ADORA1 236/4885RET 2024/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885ADORA1 236/4885RET 2024/4885

“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.