Sugi Predict

Sugi Predict / Compounds / SCHEMBL10166375

SCHEMBL10166375

SCHEMBL10166375

O[C@H]1CC[C@H](Nc2ncc3ccc(OC(CN4CCOCC4)c4ccccc4)cc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ MAPK8 P45983 2/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCNK O75909 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
SCHEMBL559366 1.00 MAPK1 (0.42) MAPK1ADORA2AADORA2BADORA1GSK3A
SCHEMBL559365 1.00 MAPK1 (0.42) MAPK1ADORA2AADORA2BADORA1GSK3A
SCHEMBL10166347 0.87 MAPK1 (0.45) MAPK1CDK2CCNE1MAPK8SMN1; SMN2
SCHEMBL559774 0.87 MAPK1 (0.45) MAPK1CDK2CCNE1MAPK8SMN1; SMN2
SCHEMBL559773 0.87 MAPK1 (0.45) MAPK1CDK2CCNE1MAPK8SMN1; SMN2
SCHEMBL559234 0.81 SYK (0.46) MAPK1MAPK8MAPK10TYRO3MERTK
SCHEMBL559235 0.81 SYK (0.46) MAPK1MAPK8MAPK10TYRO3MERTK
SCHEMBL559263 0.75 ADORA1 (0.43) MAPK1ADORA2AADORA2BADORA1GSK3A
SCHEMBL559262 0.75 ADORA1 (0.43) MAPK1ADORA2AADORA2BADORA1GSK3A
SCHEMBL558209 0.75 ADORA1 (0.53) ADORA2AADORA2BADORA1GSK3AGSK3B

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 6 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-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 MAPK1 1/4885ADORA2A 1483/4885ADORA2B 1154/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885ADORA2A 1483/4885ADORA2B 1154/4885

“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.