SCHEMBL29880467

SCHEMBL29880467

C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCNCC2)n1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.88
▸ PIK3CA P42336 14/20 0.88
▸ PIK3R1 P27986 9/20 0.88
▸ PIK3CG P48736 3/20 0.88
▸ RICTOR Q6R327 1/20 0.88
▸ RPTOR Q8N122 1/20 0.88
▸ MAPKAP1 Q9BPZ7 1/20 0.88
▸ MLST8 Q9BVC4 1/20 0.88
▸ PIK3CD O00329 2/20 0.77
▸ PIK3CB P42338 2/20 0.77
▸ PIK3C3 Q8NEB9 2/20 0.77

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
SCHEMBL17748672 1.00 MTOR (0.88) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748670 1.00 MTOR (0.88) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL29549933 0.93 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748680 0.93 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748679 0.93 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL19629244 0.93 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748699 0.93 MTOR (0.78) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748700 0.93 MTOR (0.78) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL19629356 0.92 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGRICTOR
SCHEMBL17748655 0.92 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414426-B2 Treatment of skin disorders TORQUR AG (CH) 2022-08-16 — — US claimed
US-20260062419-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2026-03-05 — — US disclosed
US-12497407-B2 Treatment of skin disorders TORQUR AG (CH) 2025-12-16 — — US disclosed
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN disclosed
CN-109475560-B Treatment of neurological disorders 巴塞尔大学 2023-05-02 — — CN disclosed
US-20230014057-A1 TREATMENT OF SKIN DISORDERS TORQUR AG (CH) 2023-01-19 — — US disclosed
US-11414426-B2 Treatment of skin disorders TORQUR AG (CH) 2022-08-16 — — 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-20260062419-A1 TREATMENT OF SKIN DISORDERS POLR1C, CCR1, COL1A1 MTOR 3397/4885PIK3CA 3453/4885PIK3R1 3285/4885
US-12497407-B2 Treatment of skin disorders RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885PIK3R1 2100/4885
US-20230014057-A1 TREATMENT OF SKIN DISORDERS RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885PIK3R1 2100/4885
US-11414426-B2 Treatment of skin disorders RXFP3, CBR3, CXCR3 MTOR 2897/4885PIK3CA 3974/4885PIK3R1 1902/4885

“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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