SCHEMBL559387

SCHEMBL559387

O=C1CCC(Nc2cc3ccccc3cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 4/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CDK7 P50613 4/20 0.43
CCNH P51946 4/20 0.43
MNAT1 P51948 4/20 0.43
CDK12 Q9NYV4 4/20 0.43
PIM1 P11309 2/20 0.42
USP30 Q70CQ3 1/20 0.40
MAPK9 P45984 4/20 0.39
MAPK10 P53779 4/20 0.39
MAPK8 P45983 3/20 0.39
HCAR3 P49019 1/20 0.39
BRD4 O60885 1/20 0.39
MAPK7 Q13164 1/20 0.39
ABL1 P00519 3/20 0.39
CHEK1 O14757 2/20 0.38
LCK P06239 1/20 0.38
ITK Q08881 1/20 0.38
AURKB Q96GD4 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
SCHEMBL28234165 0.80 CCNK (0.43) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL560061 0.80 LCK (0.54) PIM1MAPK9MAPK10MAPK8BRD4
SCHEMBL560060 0.80 LCK (0.54) PIM1MAPK9MAPK10MAPK8BRD4
SCHEMBL10165954 0.80 LCK (0.54) PIM1MAPK9MAPK10MAPK8BRD4
SCHEMBL29586678 0.78 KDM4E (0.39) PIM1MAPK9MAPK10MAPK8KDM4E
SCHEMBL28236430 0.77 CCNK (0.41) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL28283942 0.76 KDM4E (0.45) PIM1LCKKDM4EALDH1A1
SCHEMBL559117 0.75 CDK2 (0.39) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL23003138 0.75 IRAK4 (0.49) BRD4CHEK1
SCHEMBL23003140 0.75 IRAK4 (0.49) BRD4CHEK1

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 8 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
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP 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 CCNK 1185/4885CCNA2 629/4885CDK2 125/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CCNK 1185/4885CCNA2 629/4885CDK2 125/4885

“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.