SCHEMBL23592755

SCHEMBL23592755

Nc1ccnc(N2CCC3(CC2)COCCO3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.40
▸ PIK3R1 P27986 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ OGA O60502 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ DYRK1A Q13627 1/20 0.35
▸ PTPN11 Q06124 3/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL23593434 0.88 OGA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL15740824 0.84 CYP11B1 (0.45) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL23593463 0.82 PTPN11 (0.48) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL1600415 0.77 PIK3CA (0.61) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL15741013 0.76 DYRK1A (0.57) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL22119525 0.74 OGA (0.44) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL15740938 0.73 OGA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL23592761 0.72 KDM1A (0.36) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL29959025 0.72 KDM1A (0.36) PIK3CAPIK3R1PIK3CDPIK3CBOGA
SCHEMBL30067863 0.72 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBOGA

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-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 — — CN disclosed
US-11718602-B2 EGFR inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2023-08-08 — — US disclosed
US-11718602-B2 EGFR inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2023-08-08 — — US disclosed
US-20230056541-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-02-23 — — US disclosed
US-20230026209-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-01-26 — — US disclosed
CN-115135642-A Inhibitors of mutant forms of EGFR 缆图药品公司 2022-09-30 — — CN disclosed
WO-2021133809-A1 INHIBITORS OF MUTANT FORMS OF EGFR BLUEPRINT MEDICINES CORPORATION (US) 2021-07-01 — — 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 (3 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-20230056541-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 PIK3CA 108/4885PIK3R1 95/4885PIK3CD 242/4885
US-20230026209-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 PIK3CA 108/4885PIK3R1 95/4885PIK3CD 242/4885
US-11718602-B2 EGFR inhibitors EGFR, ERBB2, ERBB3 PIK3CA 108/4885PIK3R1 95/4885PIK3CD 242/4885

“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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