SCHEMBL19629362

SCHEMBL19629362

C[C@H]1COCCN1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 16/20 0.69
▸ PIK3CA P42336 15/20 0.69
▸ PIK3CB P42338 7/20 0.65
▸ RPTOR Q8N122 1/20 0.59
▸ MLST8 Q9BVC4 1/20 0.59
▸ PIK3CD O00329 1/20 0.55
▸ PIK3CG P48736 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
SCHEMBL19631514 0.94 MTOR (0.75) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460915 0.93 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19479130 0.93 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19457633 0.93 MTOR (0.69) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL20693026 0.93 PIK3CA (0.76) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL19460657 0.93 MTOR (0.66) MTORPIK3CAPIK3CBRPTORMLST8
SCHEMBL19457723 0.93 MTOR (0.66) MTORPIK3CAPIK3CBRPTORMLST8
SCHEMBL19460996 0.92 MTOR (0.65) MTORPIK3CAPIK3CBRPTORMLST8
SCHEMBL19460574 0.92 MTOR (0.65) MTORPIK3CAPIK3CBRPTORMLST8
SCHEMBL19460982 0.91 MTOR (0.64) MTORPIK3CAPIK3CBRPTORMLST8

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-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-20210361665-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2021-11-25 — — 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-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 — — US disclosed
US-20190290653-A1 TREATMENT OF SKIN LESIONS TORQUR AG (CH) 2019-09-26 — — US disclosed
US-20190284178-A1 TREATMENT OF NEUROLOGICAL DISORDERS TORQUR AG (CH) 2019-09-19 — — US disclosed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 — — US disclosed
WO-2017198346-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2017-11-23 — — WO 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 (11 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-20210361665-A1 TREATMENT OF SKIN LESIONS CXCR3, C3AR1, CCR3 MTOR 4061/4885PIK3CA 3770/4885PIK3CB 4445/4885
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20210107913-A1 TREATMENT OF SKIN DISORDERS RXFP3, CBR3, CXCR3 MTOR 2897/4885PIK3CA 3974/4885PIK3CB 4533/4885
US-20220135551-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885PIK3CB 4670/4885
US-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885PIK3CB 4669/4885
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20190284178-A1 TREATMENT OF NEUROLOGICAL DISORDERS CHRM1, CHRM2, C1R MTOR 4473/4885PIK3CA 4513/4885PIK3CB 4670/4885
US-20190290653-A1 TREATMENT OF SKIN LESIONS CXCR3, CCR3, C3AR1 MTOR 4107/4885PIK3CA 3971/4885PIK3CB 4669/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE MTOR 2/4885PIK3CA 1/4885PIK3CB 12/4885

“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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