SCHEMBL2117070

SCHEMBL2117070

Cc1ccc(-c2cnc(N)nc2NCCCN(C)C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
DHFR P00374 2/20 0.41
STK17A Q9UEE5 2/20 0.41
STK17B O94768 1/20 0.41
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
POLB P06746 1/20 0.40
TLR8 Q9NR97 2/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RAD52 P43351 1/20 0.38
ADORA1 P30542 1/20 0.38
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL2114718 0.91 DHFR (0.52) TP53DHFRSTK17ASTK17BPIM1
SCHEMBL2116830 0.88 STK17A (0.41) DHFRSTK17ASTK17BPIM1PIM3
SCHEMBL2117058 0.84 FLT3 (0.44) PIM1PIM3PIM2POLBTLR8
SCHEMBL2115771 0.83 DHFR (0.53) DHFRPOLBRETKIF5BRAD52
SCHEMBL2117065 0.83 CHEK1 (0.40) DHFRSTK17ASTK17BPIM1PIM3
SCHEMBL3447676 0.82 STK17A (0.40) STK17ASTK17BPIM1PIM3PIM2
SCHEMBL2112549 0.81 DHFR (0.53) DHFRPOLBTLR8RAD52ADORA1
SCHEMBL3449748 0.81 RPS6KA3 (0.40) DHFRSTK17ASTK17BPIM1PIM3
SCHEMBL2116496 0.77 KMT2A (0.41) POLBTLR8TLR7
SCHEMBL2115299 0.76 DHFR (0.55) TP53DHFRPOLBRAD52ADORA1

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 TP53 3322/4885DHFR 1219/4885STK17A 651/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TP53 3322/4885DHFR 1219/4885STK17A 651/4885

“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.