SCHEMBL4150226

SCHEMBL4150226

COc1ncc(C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.45
CYP3A4 P08684 2/20 0.44
SLC13A5 Q86YT5 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
SLC13A2 Q13183 1/20 0.37
SLC13A3 Q8WWT9 1/20 0.37
MAPT P10636 1/20 0.37
PIK3R1 P27986 2/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC4 P56524 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL10084731 0.84 ACHE (0.44) PIK3CACYP3A4SLC13A5MKNK1MKNK2
SCHEMBL12093598 0.80 PIK3CA (0.44) PIK3CACYP3A4MAPTPIK3R1MTOR
SCHEMBL14329387 0.79 SLC13A5 (0.40) PIK3CACYP3A4SLC13A5CCR1CCR5
SCHEMBL24174272 0.79 CYP3A4 (0.34) PIK3CACYP3A4SLC13A5SLC13A2SLC13A3
SCHEMBL15849049 0.78 PIK3CA (0.42) PIK3CAMAPTPIK3R1CCR1CCR5
SCHEMBL24174271 0.78 GAA (0.38) PIK3CACYP3A4CCR1CCR5CCR8
SCHEMBL24048533 0.78 ALOX5AP (0.36) PIK3CACYP3A4CCR1CCR5CCR8
SCHEMBL17987114 0.78 DHODH (0.39) PIK3CACYP3A4CCR1CCR5CCR8
SCHEMBL12093552 0.77 NOS3 (0.48) PIK3CASLC13A5MKNK1MKNK2SLC13A2
SCHEMBL29823245 0.77 NOS3 (0.48) PIK3CASLC13A5MKNK1MKNK2SLC13A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-07-14 US disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 EP disclosed
WO-2022002097-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2022-01-06 WO disclosed
EP-3612536-B1 OXEPINOPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3-KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2021-12-15 EP disclosed
EP-3845531-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Applied Pharmaceutical Science, Inc. (CN) 2021-07-07 EP disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332490-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (4 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PIK3CA 884/4885CYP3A4 1831/4885SLC13A5 4362/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 PIK3CA 2033/4885CYP3A4 3009/4885SLC13A5 1616/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A PIK3CA 1530/4885CYP3A4 319/4885SLC13A5 165/4885
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF RET, BRAF, RAF1 PIK3CA 464/4885CYP3A4 4244/4885SLC13A5 1445/4885

“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.