SCHEMBL8784

SCHEMBL8784

CC(C)(O)C(C)(C)OB(O)c1cccc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
AXL P30530 2/20 0.40
NOS1 P29475 4/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
DHPS P49366 1/20 0.38
METAP2 P50579 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MET P08581 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1310644 0.78 AHR (0.37) DHPSLMNACYP1A2CYP3A4
SCHEMBL87679 0.77 IDO1 (0.55) IDO1AXLNOS1ROCK2ROCK1
SCHEMBL29370496 0.77 IDO1 (0.55) IDO1AXLNOS1ROCK2ROCK1
Hydrochloric Acid SCHEMBL632116 0.76 IDO1 (0.53) IDO1AXLNOS1ROCK2ROCK1
Hydrochloric Acid SCHEMBL29954979 0.76 IDO1 (0.53) IDO1AXLNOS1ROCK2ROCK1
SCHEMBL16053313 0.76 CYP1A2 (0.36) MAPTLMNACYP1A2HTT
SCHEMBL19523890 0.75 NOS1 (0.45) IDO1AXLNOS1ROCK2ROCK1
SCHEMBL5953116 0.74 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL18860621 0.74
SCHEMBL14635056 0.73 KIF11 (0.47) JAK2MAPTCYP1A2CYP3A4HPGD

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2025-10-02 US disclosed
CN-119894872-A Heteroarenes, pharmaceutical compositions containing heteroarenes, and methods of use thereof 修复治疗公司 2025-04-25 CN disclosed
EP-4526293-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME Repare Therapeutics Inc. (CA) 2025-03-26 EP disclosed
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2023220831-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-23 WO disclosed
EP-3416960-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2021-12-01 EP disclosed
CN-108699035-B Novel compounds 特殊治疗有限公司 2021-10-15 CN disclosed
US-20200239427-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2020-07-30 US disclosed
US-10640498-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2020-05-05 US disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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 (10 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-20250304537-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK2A1 IDO1 1410/4885AXL 1172/4885NOS1 4253/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB IDO1 4253/4885AXL 3347/4885NOS1 2023/4885
US-10640498-B2 Compounds USP30, USP20, UBQLN1 IDO1 2255/4885AXL 3875/4885NOS1 1585/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB IDO1 4253/4885AXL 3347/4885NOS1 2023/4885
US-20200239427-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB IDO1 4253/4885AXL 3347/4885NOS1 2023/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A IDO1 3267/4885AXL 2378/4885NOS1 1181/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD IDO1 2883/4885AXL 1622/4885NOS1 4131/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD IDO1 2883/4885AXL 1622/4885NOS1 4131/4885
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 IDO1 1438/4885AXL 597/4885NOS1 3481/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB IDO1 4253/4885AXL 3347/4885NOS1 2023/4885

“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.