SCHEMBL15627415

SCHEMBL15627415

CC(C)C(=O)Nc1cc(C(C)C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.52
RIOK2 Q9BVS4 4/20 0.46
MAPT P10636 6/20 0.45
GSK3B P49841 5/20 0.45
ACVRL1 P37023 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GSK3A P49840 2/20 0.43
MAPK10 P53779 2/20 0.43
BRAF P15056 1/20 0.43
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
MAP4K1 Q92918 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL25714776 0.89 RIOK2 (0.45) TYK2RIOK2POLBNPC1RAB9A
SCHEMBL27342084 0.89 TYK2 (0.51) TYK2RIOK2MAPTGSK3BACVRL1
SCHEMBL22809608 0.89 TYK2 (0.51) TYK2RIOK2MAPTGSK3BACVRL1
SCHEMBL21079055 0.87 TYK2 (0.50) TYK2RIOK2MAPTGSK3BACVRL1
SCHEMBL15358570 0.87 TYK2 (0.50) TYK2RIOK2MAPTGSK3BACVRL1
Hydrochloric Acid SCHEMBL15350070 0.86 TYK2 (0.49) TYK2RIOK2MAPTGSK3BACVRL1
SCHEMBL84076 0.85 L3MBTL1 (0.52) TYK2BRAF
SCHEMBL25982918 0.84 RIOK2 (0.48) TYK2RIOK2POLBNPC1RAB9A
SCHEMBL25982905 0.84 RIOK2 (0.42) TYK2RIOK2POLBNPC1RAB9A
SCHEMBL25997633 0.84 TYK2 (0.48) TYK2RIOK2MAPTGSK3BACVRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TYK2 432/4885RIOK2 141/4885MAPT 4048/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 TYK2 1631/4885RIOK2 1003/4885MAPT 4200/4885

“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.