SCHEMBL559117

SCHEMBL559117

c1ccc2cc(NC3CCC4(CC3)OCCO4)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.39
CCNK O75909 4/20 0.39
CCNA2 P20248 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
MNAT1 P51948 4/20 0.39
CDK12 Q9NYV4 4/20 0.39
LCK P06239 1/20 0.39
ITK Q08881 1/20 0.39
AURKB Q96GD4 1/20 0.39
CCNE1 P24864 5/20 0.38
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
AOC3 Q16853 1/20 0.36
CCNT1 O60563 1/20 0.36
CHEK1 O14757 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL25547741 0.77 PDE10A (0.40) KDM4EALDH1A1C5AR1MAPK1
SCHEMBL28234165 0.77 CCNK (0.43) CDK2CCNKCCNA2CDK7CCNH
SCHEMBL560060 0.77 LCK (0.54) LCKITKAURKBCCNT1MAPK10
SCHEMBL560061 0.77 LCK (0.54) LCKITKAURKBCCNT1MAPK10
SCHEMBL10165954 0.77 LCK (0.54) LCKITKAURKBCCNT1MAPK10
SCHEMBL559387 0.75 CCNK (0.43) CDK2CCNKCCNA2CDK7CCNH
SCHEMBL31215734 0.74 CYP2A6 (0.35) CDK2CCNE1
SCHEMBL559742 0.74 GSK3B (0.35) AOC3KDM4EALDH1A1MAPK1
SCHEMBL558698 0.74 AOC3 (0.35) CDK2CCNKCCNE1AOC3CCNT1
SCHEMBL28236430 0.73 CCNK (0.41) CDK2CCNKCCNA2CDK7CCNH

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 CDK2 125/4885CCNK 1185/4885CCNA2 629/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNK 1185/4885CCNA2 629/4885

“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.