SCHEMBL2116496

SCHEMBL2116496

CN(C)CCCNc1nc(N)ncc1-c1cccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
FGFR1 P11362 2/20 0.41
TLR8 Q9NR97 2/20 0.40
CFD P00746 1/20 0.40
MAT2A P31153 1/20 0.39
LCK P06239 1/20 0.39
CCNT1 O60563 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
FLT3 P36888 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
TOP2A P11388 1/20 0.37

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 0.81 STK17A (0.41) TLR8POLBFLT3
SCHEMBL2115771 0.80 DHFR (0.53) KMT2APOLB
SCHEMBL3449748 0.79 RPS6KA3 (0.40) TLR8POLBFLT3
SCHEMBL2114718 0.79 DHFR (0.52) TLR8POLBTLR7
SCHEMBL2112549 0.78 DHFR (0.53) TLR8POLB
SCHEMBL2117070 0.77 TP53 (0.48) TLR8POLBTLR7
SCHEMBL3447676 0.77 STK17A (0.40) TLR8POLBFLT3
SCHEMBL2117058 0.76 FLT3 (0.44) TLR8POLBFLT3TLR7
SCHEMBL2117065 0.76 CHEK1 (0.40) FGFR1TLR8MAT2APOLB
SCHEMBL2115299 0.73 DHFR (0.55) L3MBTL1POLB

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 KMT2A 1889/4885FGFR1 2406/4885TLR8 4520/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG KMT2A 1889/4885FGFR1 2406/4885TLR8 4520/4885

“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.