SCHEMBL17748772

SCHEMBL17748772

C[C@@H]1COCCN1c1nc(-c2cn[nH]c2)nc(-c2cnc(N)cc2C(F)F)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.78
▸ PIK3CA P42336 14/20 0.78
▸ PIK3R1 P27986 9/20 0.78
▸ PIK3CG P48736 3/20 0.73
▸ RICTOR Q6R327 1/20 0.73
▸ RPTOR Q8N122 1/20 0.73
▸ MAPKAP1 Q9BPZ7 1/20 0.73
▸ MLST8 Q9BVC4 1/20 0.73
▸ PIK3CD O00329 2/20 0.71
▸ PIK3CB P42338 2/20 0.71
▸ PIK3C3 Q8NEB9 2/20 0.71

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
SCHEMBL17748663 0.90 MTOR (0.96) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL21394003 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL19629356 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748654 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL29564261 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748655 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748625 0.88 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748736 0.87 MTOR (0.83) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748636 0.85 MTOR (0.79) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748679 0.84 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 — — US claimed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 — — US claimed
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 — — US claimed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 — — US claimed
EP-3218358-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR Therapeutics AG (CH) 2017-09-20 — — EP claimed
WO-2016075130-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR THERAPEUTICS AG (CH) 2016-05-19 — — WO claimed
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 — — US disclosed
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 — — US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 — — US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 — — US disclosed
CN-107108644-B Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines 皮奎尔治疗公司 2021-01-05 — — CN disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 — — US disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 — — US disclosed
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 — — US disclosed
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 — — US disclosed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 — — US disclosed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 — — US disclosed
EP-3218358-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR Therapeutics AG (CH) 2017-09-20 — — EP disclosed
WO-2016075130-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR THERAPEUTICS AG (CH) 2016-05-19 — — WO disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 — — 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-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 MTOR 3280/4885PIK3CA 682/4885PIK3R1 3333/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3R1 30/4885

“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.

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