SCHEMBL558625

SCHEMBL558625

Fc1cc(C(F)(F)F)c2cc(NC3CCC4(CC3)OCCO4)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.38
MAPK3 P27361 1/20 0.38
IDH1 O75874 1/20 0.35
ULK1 O75385 5/20 0.33
MALT1 Q9UDY8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
AOC3 Q16853 1/20 0.32
RPS6KA1 Q15418 2/20 0.31
CCNT1 O60563 1/20 0.31
LCK P06239 1/20 0.31
ITK Q08881 1/20 0.31
AURKB Q96GD4 1/20 0.31

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 0.81 LCK (0.42) MALT1CCNT1LCKITKAURKB
SCHEMBL558920 0.81 LCK (0.42) MALT1CCNT1LCKITKAURKB
SCHEMBL558761 0.81 LCK (0.42) MALT1CCNT1LCKITKAURKB
SCHEMBL558762 0.81 LCK (0.42) MALT1CCNT1LCKITKAURKB
SCHEMBL2260997 0.80 MAPK3 (0.37) MAPK1MAPK3IDH1ULK1MALT1
SCHEMBL559117 0.73 CDK2 (0.39) MAPK1MAPK3ALDH1A1CCNE1CDK2
SCHEMBL559257 0.72 BRD4 (0.36) MAPK1ALDH1A1AOC3RPS6KA1CCNT1
SCHEMBL559742 0.71 GSK3B (0.35) MAPK1IDH1ALDH1A1AOC3
SCHEMBL31215727 0.67 CCNK (0.33) MAPK1MAPK3IDH1CCNT1
SCHEMBL558698 0.67 AOC3 (0.35) MAPK1ALDH1A1CCNE1CDK2AOC3

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 10 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-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-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
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO 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 MAPK1 1/4885MAPK3 8/4885IDH1 3239/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885MAPK3 8/4885IDH1 3239/4885

“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.