SCHEMBL558922

SCHEMBL558922

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.51
TAS1R3 Q7RTX0 6/20 0.48
TAS1R1 Q7RTX1 6/20 0.48
MAPK1 P28482 9/20 0.46
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR1 P21554 3/20 0.43
CCNE1 P24864 1/20 0.40
CDK2 P24941 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
SCHEMBL559368 0.90 MAPK1 (0.47) GCGTAS1R3TAS1R1MAPK1HDAC4
SCHEMBL559610 0.88 TAS1R3 (0.46) GCGTAS1R3TAS1R1MAPK1CNR1
SCHEMBL558944 0.86 MAPK1 (0.53) GCGMAPK1HDAC4HDAC6CCNE1
SCHEMBL558649 0.86 MAPK1 (0.50) GCGMAPK1
SCHEMBL558892 0.86 MAPK1 (0.52) TAS1R3TAS1R1MAPK1CCNE1CDK2
SCHEMBL559505 0.86 MAPK1 (0.52) TAS1R3TAS1R1MAPK1CCNE1CDK2
SCHEMBL559573 0.85 MAPK1 (0.51) TAS1R3TAS1R1MAPK1CCNE1CDK2
SCHEMBL558360 0.84 MAPK1 (0.47) GCGTAS1R3TAS1R1MAPK1CNR1
SCHEMBL559620 0.84 MAPK1 (0.48) GCGMAPK1CCNE1CDK2
SCHEMBL559218 0.83 GCG (0.52) GCGMAPK1

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 GCG 598/4885TAS1R3 2223/4885TAS1R1 1510/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 GCG 598/4885TAS1R3 2223/4885TAS1R1 1510/4885

“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.