SCHEMBL559871

SCHEMBL559871

NC1CCC(Nc2ncc3ccc(C(=O)NCc4ccccc4)cc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.54
CSNK2A1 P68400 3/20 0.51
MAPK8 P45983 2/20 0.49
KDM1A O60341 3/20 0.48
MAOA P21397 2/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
TP53 P04637 1/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
RCOR1 Q9UKL0 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL559870 1.00 PLAU (0.54) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL558644 0.91 MAPK8 (0.59) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL2255573 0.91 MAPK8 (0.59) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL3491337 0.90 PLAU (0.52) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL3491333 0.90 PLAU (0.52) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL14391782 0.90 PLAU (0.54) PLAUCSNK2A1MAPK8KDM1AMAOA
SCHEMBL559584 0.89 MAPK8 (0.50) PLAUCSNK2A1MAPK8ADORA3ADORA2A
SCHEMBL559585 0.89 MAPK8 (0.50) PLAUCSNK2A1MAPK8ADORA3ADORA2A
SCHEMBL558708 0.86 MAPK8 (0.49) PLAUCSNK2A1MAPK8ADORA3ADORA2A
SCHEMBL558707 0.86 MAPK8 (0.49) PLAUCSNK2A1MAPK8ADORA3ADORA2A

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-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

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 PLAU 4441/4885CSNK2A1 81/4885MAPK8 20/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 PLAU 4441/4885CSNK2A1 81/4885MAPK8 20/4885

“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.