Sugi Predict

Sugi Predict / Compounds / SCHEMBL558292

SCHEMBL558292

SCHEMBL558292

CCC(=O)N[C@H]1CC[C@H](Nc2ncc3cccc(OC4CCOC4)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.42
▸ TYK2 P29597 3/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ MAPK10 P53779 4/20 0.40
▸ JUN P05412 2/20 0.40
▸ MAPK8 P45983 3/20 0.39
▸ MAPK9 P45984 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CCNE2 O96020 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ EGFR P00533 3/20 0.37
▸ ITK Q08881 2/20 0.37

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
SCHEMBL558293 1.00 MAPK1 (0.42) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL558801 0.95 MAPK1 (0.45) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL558802 0.95 MAPK1 (0.45) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL558498 0.90 TYK2 (0.45) TYK2JAK2JAK1JAK3MAPK10
SCHEMBL558499 0.90 TYK2 (0.45) TYK2JAK2JAK1JAK3MAPK10
SCHEMBL558500 0.88 MAPK10 (0.47) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL558501 0.88 MAPK10 (0.47) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL559110 0.86 JAK2 (0.41) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL559108 0.86 JAK2 (0.41) MAPK1TYK2JAK2JAK1JAK3
SCHEMBL2259638 0.85 JAK2 (0.39) MAPK1TYK2JAK2JAK1JAK3

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 1/4885TYK2 1929/4885JAK2 54/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK1 1/4885TYK2 1929/4885JAK2 54/4885

“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.