SCHEMBL558761

SCHEMBL558761

O[C@H]1CC[C@@H](Nc2cc3c(C(F)(F)F)cc(F)cc3cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.42
ITK Q08881 2/20 0.42
AURKB Q96GD4 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK14 Q16539 4/20 0.42
PRKCQ Q04759 2/20 0.41
PRKCD Q05655 2/20 0.41
CCNT1 O60563 4/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 3/20 0.39
KIT P10721 2/20 0.39
PIM1 P11309 1/20 0.39
KCNH2 Q12809 1/20 0.39
CDC7 O00311 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL10166210 1.00 LCK (0.42) LCKITKAURKBGSK3AGSK3B
SCHEMBL558762 1.00 LCK (0.42) LCKITKAURKBGSK3AGSK3B
SCHEMBL558920 1.00 LCK (0.42) LCKITKAURKBGSK3AGSK3B
SCHEMBL2260997 0.84 MAPK3 (0.37) PIM1MALT1
SCHEMBL12378876 0.82 MAPK14 (0.49) LCKITKAURKBMAPK14CCNT1
SCHEMBL558625 0.81 MAPK1 (0.38) LCKITKAURKBCCNT1MALT1
SCHEMBL2258345 0.80 LCK (0.42) LCKITKAURKBGSK3AGSK3B
SCHEMBL2258340 0.80 LCK (0.42) LCKITKAURKBGSK3AGSK3B
SCHEMBL10166205 0.79 HCAR3 (0.44) LCKITKAURKBMAPK14CCNT1
SCHEMBL559464 0.79 HCAR3 (0.44) LCKITKAURKBMAPK14CCNT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 LCK 101/4885ITK 3030/4885AURKB 2600/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 LCK 101/4885ITK 3030/4885AURKB 2600/4885

“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.