SCHEMBL22221967

SCHEMBL22221967

C=CC(=O)N1C[C@H](n2nc(C(=O)Nc3ccc(CC(=O)N(C)C)c(C)c3C)c3c(N)ncnc32)C[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 20/20 1.00
▸ EGFR P00533 1/20 0.75

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
SCHEMBL30425162 1.00 ERBB2 (1.00) ERBB2EGFR
SCHEMBL24026373 1.00 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19182300 0.88 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180965 0.87 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19180964 0.87 ERBB2 (1.00) ERBB2EGFR
SCHEMBL26245461 0.86 ERBB2 (0.76) ERBB2EGFR
SCHEMBL19181013 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL29434938 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL29926978 0.85 ERBB2 (1.00) ERBB2EGFR
SCHEMBL19181012 0.85 ERBB2 (1.00) ERBB2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909584-B1 PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-12-13 — — EP disclosed
US-20230285397-A1 EGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
US-20230285397-A1 EGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-14 — — US disclosed
EP-4183395-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT Taiho Pharmaceutical Co., Ltd. (JP) 2023-05-24 — — EP disclosed
WO-2022014640-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT 大鵬薬品工業株式会社 2022-01-20 — — WO disclosed
WO-2022014639-A1 EGFR INHIBITOR 大鵬薬品工業株式会社 2022-01-20 — — WO disclosed
EP-3909584-A1 PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2021-11-17 — — EP disclosed
US-11078207-B2 Substituted pyrrolo[2,3-d]pyrimidines as HER2 inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-08-03 — — US disclosed
US-20210024530-A1 PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-28 — — US disclosed
WO-2020145374-A1 PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-07-16 — — 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-20210024530-A1 PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885
US-11078207-B2 Substituted pyrrolo[2,3-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885
US-20230285397-A1 EGFR INHIBITOR EGFR, ERBB2, ERBB4 ERBB2 2/4885EGFR 1/4885

“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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