SCHEMBL10141501

SCHEMBL10141501

CC(C)c1cnn(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
PSMB8 P28062 2/20 0.44
PSMB9 P28065 2/20 0.44
IDO1 P14902 1/20 0.42
KDM5B Q9UGL1 2/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
OGA O60502 2/20 0.36
KDM5A P29375 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL2737310 0.98 ACHE (0.47) ACHEPSMB8PSMB9IDO1KDM5B
SCHEMBL14962150 0.95 ACHE (0.44) ACHEPSMB8PSMB9IDO1KDM5B
SCHEMBL22794284 0.91 ACHE (0.40) ACHEPSMB8PSMB9IDO1KDM5B
SCHEMBL10141528 0.91 KDM5B (0.39) ACHEPSMB8PSMB9IDO1KDM5B
SCHEMBL25801935 0.84 CHRNB2 (0.44) ACHEKDM5BJAK2JAK1TYK2
SCHEMBL12536251 0.83 CHRNB2 (0.48) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL12089996 0.83 ALOX15 (0.41) IRAK4OGABMPR1AACVRL1ACVR1
SCHEMBL21267247 0.83 ACHE (0.38) ACHEPSMB8PSMB9IDO1KDM5B
SCHEMBL10100348 0.83 JAK2 (0.39) JAK2JAK1JAK3IRAK4OGA
SCHEMBL1619352 0.83 OGA (0.45) ACHEOGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-9499529-B2 Therapeutic uses of curcumin analogs for treatment of prostate cancer CALIFORNIA STATE UNIVERSITY, FRESNO (US) 2016-11-22 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 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 (6 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 ACHE 4254/4885PSMB8 3285/4885PSMB9 3838/4885
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885PSMB8 1780/4885PSMB9 3098/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885PSMB8 1780/4885PSMB9 3098/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ACHE 4231/4885PSMB8 1780/4885PSMB9 3098/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 ACHE 1430/4885PSMB8 3494/4885PSMB9 3735/4885
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 ACHE 997/4885PSMB8 1632/4885PSMB9 1593/4885

“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.