SCHEMBL29879925

SCHEMBL29879925

Nc1ncc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)c(C(F)F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 1.00
▸ PIK3CA P42336 18/20 1.00
▸ RPTOR Q8N122 8/20 1.00
▸ MLST8 Q9BVC4 8/20 1.00
▸ RICTOR Q6R327 7/20 1.00
▸ MAPKAP1 Q9BPZ7 7/20 1.00
▸ PIK3R1 P27986 3/20 0.59
▸ PIK3CD O00329 3/20 0.59
▸ PIK3CB P42338 3/20 0.59
▸ PIK3CG P48736 3/20 0.59
▸ PIK3C3 Q8NEB9 3/20 0.59
▸ PIK3C2B O00750 1/20 0.54
▸ PI4KB Q9UBF8 1/20 0.54

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
SCHEMBL17748623 1.00 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL24055185 0.93 MTOR (0.98) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748735 0.88 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748702 0.88 MTOR (0.78) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748707 0.88 MTOR (0.78) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29880214 0.88 MTOR (0.78) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29592956 0.84 PIK3CA (0.83) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL22838416 0.84 MTOR (0.75) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL17748693 0.83 MTOR (0.71) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29880060 0.83 MTOR (0.71) MTORPIK3CARPTORMLST8RICTOR

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
CN-109414415-B Treatment of skin lesions 拓客股份有限公司 2023-05-02 — — CN 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 3453/4885RPTOR 2446/4885
US-12497407-B2 Treatment of skin disorders RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885RPTOR 1660/4885
US-20230014057-A1 TREATMENT OF SKIN DISORDERS RXFP3, CCR3, CBR3 MTOR 3212/4885PIK3CA 4158/4885RPTOR 1660/4885
US-11414426-B2 Treatment of skin disorders RXFP3, CBR3, CXCR3 MTOR 2897/4885PIK3CA 3974/4885RPTOR 1483/4885

“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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