SCHEMBL21393941

SCHEMBL21393941

Nc1cc(C(F)F)c(-c2nc(N3CC4COC(C4)C3)nc(N3CC4CCC(C3)O4)n2)cn1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.81
PIK3CA P42336 15/20 0.81
RICTOR Q6R327 3/20 0.55
RPTOR Q8N122 3/20 0.55
MAPKAP1 Q9BPZ7 3/20 0.55
MLST8 Q9BVC4 3/20 0.55
PIK3R1 P27986 2/20 0.55
PIK3CG P48736 2/20 0.55
PIK3CD O00329 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.55

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
SCHEMBL17748722 0.90 MTOR (1.00) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL20692920 0.87 MTOR (0.61) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL21375688 0.85 MTOR (0.74) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL21354081 0.84 MTOR (0.75) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL24055182 0.83 MTOR (0.56) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL17748629 0.78 MTOR (1.00) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL21393938 0.78 MTOR (0.75) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL17748729 0.77 MTOR (0.85) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL23505793 0.77 MTOR (0.85) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL29564081 0.77 MTOR (0.85) MTORPIK3CARICTORRPTORMAPKAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014057-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2023-01-19 US disclosed
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 US disclosed
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2022-05-05 US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 US disclosed
US-10993947-B2 Treatment of skin lesions TORQUR (CH) 2021-05-04 US disclosed
US-20210107913-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2021-04-15 US disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 US disclosed
US-20190290653-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2019-09-26 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 (8 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 1/4885RICTOR 31/4885
US-20210107913-A1 TREATMENT OF SKIN DISORDERS RXFP3, CBR3, CXCR3 MTOR 2897/4885PIK3CA 3974/4885RICTOR 2628/4885
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885RICTOR 4018/4885
US-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885RICTOR 4301/4885
US-20230014057-A1 TREATMENT OF SKIN DISORDERS RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885RICTOR 2879/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885RICTOR 31/4885
US-20190290653-A1 TREATMENT OF SKIN LESIONS CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885RICTOR 4301/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885RICTOR 31/4885

“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.