Sugi Predict

Sugi Predict / Compounds / SCHEMBL9109967

SCHEMBL9109967

SCHEMBL9109967

COC(=O)c1cc(NC(=O)OC(C)(C)C)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.48
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ ACVR1B P36896 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ CDK9 P50750 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ EGLN2 Q96KS0 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL31689994 0.93 GSK3B (0.44) ATRGSK3BDYRK1ASYKCDK9
SCHEMBL20640507 0.88 KDM4E (0.46) ATRGSK3BDYRK1ASYKCDK9
SCHEMBL20302619 0.85 ATR (0.49) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL17803539 0.84 ATR (0.48) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL25727712 0.84 ATR (0.48) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL30381133 0.84 ATR (0.54) ATRGSK3BDYRK1AACVR1BTGFBR1
SCHEMBL2116624 0.82 GSK3B (0.44) ATRGSK3BDYRK1ASYKCDK9
SCHEMBL19200617 0.82 ATR (0.49) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL5908666 0.82 GSK3B (0.46) ATRGSK3BDYRK1ASYKCDK9
SCHEMBL25784199 0.81 ATR (0.57) ATRGSK3BDYRK1AACVR1BTGFBR1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152014-B2 Therapeutic compounds and compositions eXlthera Pharmaceuticals, Inc. (US) 2024-11-26 — — US disclosed
US-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2024-02-22 — — US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
WO-2022125412-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME CORP. (US) 2022-06-16 — — WO disclosed
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 — — US disclosed
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES GALAPAGOS NV (BE) 2022-06-02 — — US disclosed
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 — — US disclosed
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives GALAPAGOS NV (BE) 2021-10-05 — — US disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 — — EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 — — EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 — — US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 — — US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 — — US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 — — WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 — — WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 — — US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 — — US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 — — 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 (6 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-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 ATR 4168/4885GSK3B 814/4885DYRK1A 3148/4885
US-12152014-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 ATR 4168/4885GSK3B 814/4885DYRK1A 3148/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 ATR 4168/4885GSK3B 814/4885DYRK1A 3148/4885
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B ATR 2746/4885GSK3B 750/4885DYRK1A 462/4885
US-11136325-B2 Pyrrolopyrimidine and pyrrolopyridine derivatives IRAK1, PEAK1, MARK1 ATR 1260/4885GSK3B 604/4885DYRK1A 1183/4885
US-20220169653-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES IRAK1, PEAK1, MARK1 ATR 1260/4885GSK3B 604/4885DYRK1A 1183/4885

“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.