SCHEMBL2117065

SCHEMBL2117065

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
KCNH2 Q12809 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
MAT2A P31153 1/20 0.39
DHFR P00374 1/20 0.39
PIM1 P11309 3/20 0.38
PIM3 Q86V86 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR8 Q9NR97 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
FGFR1 P11362 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL2114718 0.87 DHFR (0.52) RETKIF5BDHFRPIM1PIM3
SCHEMBL2116830 0.85 STK17A (0.41) RETKIF5BDHFRPIM1PIM3
SCHEMBL2117070 0.83 TP53 (0.48) RETKIF5BDHFRPIM1PIM3
SCHEMBL2117058 0.81 FLT3 (0.44) RETKIF5BPIM1PIM3PIM2
SCHEMBL2115771 0.80 DHFR (0.53) RETKIF5BDHFRPOLBKDM4E
SCHEMBL3447676 0.78 STK17A (0.40) RETKIF5BPIM1PIM3PIM2
SCHEMBL2112549 0.78 DHFR (0.53) DHFRPOLBKDM4EMAPTMAPK1
SCHEMBL3449748 0.77 RPS6KA3 (0.40) DHFRPIM1PIM3PIM2POLB
SCHEMBL2116496 0.76 KMT2A (0.41) MAT2APOLBTLR8FGFR1
SCHEMBL2115299 0.73 DHFR (0.55) DHFRPOLBKDM4E

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 CHEK1 1089/4885KCNH2 122/4885RET 2024/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG CHEK1 1089/4885KCNH2 122/4885RET 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.