Sugi Predict

Sugi Predict / Compounds / SCHEMBL558524

SCHEMBL558524

SCHEMBL558524

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.46
▸ GCG P01275 1/20 0.42
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGDS O60760 1/20 0.35

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
SCHEMBL558360 0.90 MAPK1 (0.47) MAPK1GCGCCNE1CDK2CSNK2A1
SCHEMBL559368 0.87 MAPK1 (0.47) MAPK1GCGCCNE1CDK2TP53
SCHEMBL559542 0.86 MAPK1 (0.51) MAPK1CCNE1CDK2
SCHEMBL559116 0.86 MAPK1 (0.51) MAPK1CCNE1CDK2
SCHEMBL558944 0.85 MAPK1 (0.53) MAPK1GCGCCNE1CDK2TP53
SCHEMBL558938 0.85 MAPK1 (0.51) MAPK1CCNE1CDK2
SCHEMBL559610 0.83 TAS1R3 (0.46) MAPK1GCGTAS1R3TAS1R1
SCHEMBL559932 0.83 MAPK1 (0.50) MAPK1CCNE1CDK2
SCHEMBL558922 0.82 GCG (0.51) MAPK1GCGCCNE1CDK2TAS1R3
SCHEMBL559100 0.80 MAPK1 (0.51) MAPK1GCGCCNE1CDK2

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 598/4885CCNE1 523/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885GCG 598/4885CCNE1 523/4885

“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.