SCHEMBL558517

SCHEMBL558517

O=C(O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.58
CSNK2A2 P19784 3/20 0.55
CSNK2B P67870 3/20 0.55
CDK7 P50613 3/20 0.53
CCNH P51946 3/20 0.53
MNAT1 P51948 3/20 0.53
CDK2 P24941 6/20 0.52
CCNE1 P24864 5/20 0.52
MAPK8 P45983 4/20 0.52
CCNK O75909 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK12 Q9NYV4 1/20 0.52
MAPK10 P53779 2/20 0.51
MAPK9 P45984 1/20 0.48
HCAR3 P49019 1/20 0.48

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
SCHEMBL558518 1.00 CSNK2A1 (0.58) CSNK2A1CSNK2A2CSNK2BCDK7CCNH
SCHEMBL559092 0.90 HPGDS (0.51) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL2263303 0.90 HPGDS (0.51) CSNK2A1CSNK2A2CSNK2BCDK2CCNE1
SCHEMBL10207543 0.89 CDK7 (0.54) CDK7CCNHMNAT1CDK2CCNE1
SCHEMBL560324 0.87 CDK7 (0.55) CSNK2A1CDK7CCNHMNAT1CDK2
SCHEMBL558911 0.87 CDK2 (0.52) CSNK2A1CDK7CCNHMNAT1CDK2
SCHEMBL560325 0.87 CDK7 (0.55) CSNK2A1CDK7CCNHMNAT1CDK2
SCHEMBL558912 0.87 CDK2 (0.52) CSNK2A1CDK7CCNHMNAT1CDK2
SCHEMBL14676324 0.86 MAPK1 (0.56) CSNK2A1CSNK2A2CSNK2BCDK7CCNH
SCHEMBL559021 0.86 BRAF (0.59) CSNK2A1CSNK2A2CSNK2BCDK7CCNH

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 11 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
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 CSNK2A1 81/4885CSNK2A2 96/4885CSNK2B 162/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CSNK2A1 81/4885CSNK2A2 96/4885CSNK2B 162/4885

“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.