SCHEMBL559565

SCHEMBL559565

CCn1cc(CNC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SLC5A7 Q9GZV3 1/20 0.46
MAPK8 P45983 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPK1 P28482 5/20 0.44
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 3/20 0.43
CCNH P51946 3/20 0.43
MNAT1 P51948 3/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL2262217 1.00 ALDH1A1 (0.47) ALDH1A1SLC5A7MAPK8MAPTKMT2A
SCHEMBL2255573 0.84 MAPK8 (0.59) MAPK8MAPK1CCNE1CDK2
SCHEMBL558644 0.84 MAPK8 (0.59) MAPK8MAPK1CCNE1CDK2
SCHEMBL2259321 0.82 MERTK (0.54) MAPK8MAPTMAPK1CCNE1CDK2
SCHEMBL559012 0.82 MERTK (0.54) MAPK8MAPTMAPK1CCNE1CDK2
SCHEMBL2255909 0.81 JUN (0.48) ALDH1A1
SCHEMBL558954 0.81 JUN (0.48) ALDH1A1
SCHEMBL558975 0.81 RAB9A (0.50) MAPK8KMT2AMAPK1CCNE1CDK2
SCHEMBL2257637 0.81 TYRO3 (0.47) MAPK8MAPK1CCNE1CDK2
SCHEMBL558704 0.81 TYRO3 (0.47) MAPK8MAPK1CCNE1CDK2

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 9 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

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 ALDH1A1 1098/4885SLC5A7 1402/4885MAPK8 20/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALDH1A1 1098/4885SLC5A7 1402/4885MAPK8 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.