Sugi Predict

Sugi Predict / Compounds / SCHEMBL559723

SCHEMBL559723

SCHEMBL559723

CC(C)c1cc(NC(=O)c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 6/20 0.55
▸ PRKAG1 P54619 6/20 0.55
▸ PRKAA2 P54646 6/20 0.55
▸ PRKAA1 Q13131 6/20 0.55
▸ PRKAG3 Q9UGI9 6/20 0.55
▸ PRKAG2 Q9UGJ0 6/20 0.55
▸ PRKAB1 Q9Y478 6/20 0.55
▸ MAPK10 P53779 3/20 0.46
▸ JUN P05412 2/20 0.46
▸ MAPK8 P45983 4/20 0.41
▸ MAPK9 P45984 4/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL2262273 0.86 CCNA2 (0.52) MAPK10JUNCCNA2CDK2CCNA1
SCHEMBL558851 0.86 CCNA2 (0.52) MAPK10JUNCCNA2CDK2CCNA1
SCHEMBL560215 0.84 ALPL (0.51) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL560216 0.84 ALPL (0.51) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL2263545 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL559569 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL560157 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL2259218 0.82 MAPK10 (0.52) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL2257103 0.81 MAPK10 (0.48) MAPK10JUNMAPK8MAPK9ADORA2A
SCHEMBL559252 0.81 MAPK10 (0.48) MAPK10JUNMAPK8MAPK9ADORA2A

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 7 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-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 PRKAB2 1010/4885PRKAG1 843/4885PRKAA2 799/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 PRKAB2 1010/4885PRKAG1 843/4885PRKAA2 799/4885

“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.