SCHEMBL559998

SCHEMBL559998

C[C@@H](NC(=O)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.60
MAST3 O60307 1/20 0.58
DDR2 Q16832 2/20 0.52
MAPK1 P28482 12/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL2259643 1.00 MAPK8 (0.60) MAPK8MAST3DDR2MAPK1CCNE1
SCHEMBL10205716 0.89 MAPK1 (0.49) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL2256344 0.88 CCNE1 (0.52) MAPK8MAPK1CCNE1CDK2MAPK9
SCHEMBL560199 0.88 CCNE1 (0.52) MAPK8MAPK1CCNE1CDK2MAPK9
SCHEMBL559767 0.88 MAPK8 (0.59) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL10207031 0.88 MAPK8 (0.59) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL2255638 0.88 MAPK8 (0.59) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL559078 0.87 MAPK1 (0.61) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL2261664 0.87 MAPK1 (0.61) MAPK8MAST3MAPK1CCNE1CDK2
SCHEMBL558908 0.87 MAPK1 (0.61) MAPK8MAST3MAPK1CCNE1CDK2

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 10 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
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 MAPK8 20/4885MAST3 1271/4885DDR2 4342/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885MAST3 1271/4885DDR2 4342/4885

“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.