SCHEMBL558774

SCHEMBL558774

CC1(COc2ccc3cnc(NC4CCC(O)CC4)nc3c2)COC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.57
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
MAPK9 P45984 1/20 0.46
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
RIPK2 O43353 2/20 0.41
METTL3 Q86U44 1/20 0.40
CDK2 P24941 3/20 0.39
CCNK O75909 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK7 P50613 2/20 0.39
CCNH P51946 2/20 0.39
MNAT1 P51948 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
JUN P05412 1/20 0.39
HPGDS O60760 1/20 0.39
GAK O14976 1/20 0.39
ULK1 O75385 1/20 0.39

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
SCHEMBL558773 1.00 FLT3 (0.57) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL558853 0.81 HPGDS (0.56) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL558852 0.81 HPGDS (0.56) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL559323 0.81 MAPK8 (0.46) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL559324 0.81 MAPK8 (0.46) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL558702 0.80 MAPK8 (0.44) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL558703 0.80 MAPK8 (0.44) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL12361586 0.80 MAPK8 (0.46) FLT3MAPK8MAPK10MAPK9ADORA2A
SCHEMBL558931 0.80 MAPK1 (0.45) FLT3MAPK8MAPK10MAPK9CDK2
SCHEMBL2256699 0.80 MAPK1 (0.45) FLT3MAPK8MAPK10MAPK9CDK2

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-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-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 FLT3 1589/4885MAPK8 20/4885MAPK10 32/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FLT3 1589/4885MAPK8 20/4885MAPK10 32/4885

“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.