SCHEMBL20445835

SCHEMBL20445835

CC(Nc1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 10/20 0.48
▸ IDH1 O75874 5/20 0.43
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC4 P56524 2/20 0.38

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
SCHEMBL20445801 1.00 RPS6KB1 (0.48) RPS6KB1IDH1HDAC1HDAC6HDAC3
SCHEMBL20445793 0.85 RPS6KB1 (0.52) RPS6KB1IDH1
SCHEMBL20445792 0.85 RPS6KB1 (0.52) RPS6KB1IDH1
SCHEMBL18171867 0.83 LPL (0.39) RPS6KB1IDH1
SCHEMBL18171882 0.80 NUDT1 (0.40) HDAC1HDAC6HDAC4
SCHEMBL29545777 0.80 EGFR (0.39) —
SCHEMBL1368949 0.80 EGFR (0.39) —
SCHEMBL25454628 0.79 DGAT1 (0.36) —
SCHEMBL20445886 0.77 RPS6KB1 (0.49) RPS6KB1
SCHEMBL20445851 0.76 RPS6KB1 (0.55) RPS6KB1HDAC1HDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3868751-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2023-10-25 — — EP disclosed
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 — — EP disclosed
CN-108473472-B 2-aminoquinazoline derivatives as P70S6kinase inhibitors 圣提内尔肿瘤学有限公司 2021-02-12 — — CN disclosed
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2020-08-04 — — US disclosed
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2019-09-26 — — US disclosed
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2019-07-09 — — US disclosed
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-12-27 — — US disclosed
EP-3356348-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS Sentinel Oncology Limited (GB) 2018-08-08 — — EP 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-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR RPS6KB1 6/4885IDH1 1656/4885HDAC1 538/4885
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR RPS6KB1 6/4885IDH1 1656/4885HDAC1 538/4885
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR RPS6KB1 6/4885IDH1 1656/4885HDAC1 538/4885
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR RPS6KB1 6/4885IDH1 1656/4885HDAC1 538/4885

“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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