SCHEMBL560060

SCHEMBL560060

O[C@H]1CC[C@H](Nc2cc3ccccc3cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.54
ITK Q08881 1/20 0.54
AURKB Q96GD4 1/20 0.54
BRD4 O60885 2/20 0.50
MAPK7 Q13164 2/20 0.50
CCNT1 O60563 7/20 0.49
PIM1 P11309 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
MAPK14 Q16539 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKCQ Q04759 1/20 0.44
MAPK10 P53779 3/20 0.44
MAPK8 P45983 2/20 0.44
MAPK9 P45984 1/20 0.44

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
SCHEMBL560061 1.00 LCK (0.54) LCKITKAURKBBRD4MAPK7
SCHEMBL10165954 1.00 LCK (0.54) LCKITKAURKBBRD4MAPK7
SCHEMBL28234165 0.84 CCNK (0.43) LCKITKAURKBBRD4MAPK7
SCHEMBL28236430 0.81 CCNK (0.41) LCKITKAURKBBRD4MAPK7
SCHEMBL559387 0.80 CCNK (0.43) LCKITKAURKBBRD4MAPK7
SCHEMBL559117 0.77 CDK2 (0.39) LCKITKAURKBCCNT1MKNK1
SCHEMBL23003140 0.76 IRAK4 (0.49) BRD4CCNT1FLT3
SCHEMBL23003138 0.76 IRAK4 (0.49) BRD4CCNT1FLT3
SCHEMBL558138 0.74 MAPK8 (0.56) ADORA2AADORA2BADORA1MAPK14MKNK1
SCHEMBL558139 0.74 MAPK8 (0.56) ADORA2AADORA2BADORA1MAPK14MKNK1

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 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.