SCHEMBL559368

SCHEMBL559368

CC[C@@H](CO)NC(=O)c1ccc2cnc(NC(C)C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.47
GCG P01275 1/20 0.45
DYRK1A Q13627 6/20 0.45
DYRK2 Q92630 6/20 0.45
DYRK1B Q9Y463 6/20 0.45
DYRK3 O43781 5/20 0.45
CDK2 P24941 2/20 0.45
CCNA2 P20248 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CCNE1 P24864 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TP53 P04637 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL559610 0.91 TAS1R3 (0.46) MAPK1GCGTAS1R3TAS1R1
SCHEMBL558922 0.90 GCG (0.51) MAPK1GCGCDK2HDAC4HDAC6
SCHEMBL558944 0.87 MAPK1 (0.53) MAPK1GCGCDK2HDAC4HDAC6
SCHEMBL558649 0.87 MAPK1 (0.50) MAPK1GCG
SCHEMBL558524 0.87 MAPK1 (0.46) MAPK1GCGCDK2CCNE1TAS1R3
SCHEMBL558360 0.85 MAPK1 (0.47) MAPK1GCGCDK2CCNE1TAS1R3
SCHEMBL559620 0.85 MAPK1 (0.48) MAPK1GCGCDK2CCNE1
SCHEMBL558608 0.84 MAPK1 (0.53) MAPK1CDK2CCNA2CCNE1
SCHEMBL559392 0.84 MAPK1 (0.53) MAPK1CDK2CCNA2CCNE1
SCHEMBL559340 0.83 MAPK1 (0.53) MAPK1CDK2CCNA2CCNE1

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 MAPK1 1/4885GCG 598/4885DYRK1A 1064/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885GCG 598/4885DYRK1A 1064/4885

“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.