Sugi Predict

Sugi Predict / Compounds / SCHEMBL3344049

SCHEMBL3344049

SCHEMBL3344049

CC(C)(C)OC(=O)Nc1cc(Cl)ncc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.45
▸ CYP17A1 P05093 1/20 0.43
▸ P2RX3 P56373 2/20 0.43
▸ SYK P43405 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ S1PR3 Q99500 1/20 0.40
▸ MAPKAPK2 P49137 2/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ KCNQ4 P56696 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37

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
SCHEMBL29948300 0.88 CYP17A1 (0.46) AAK1CYP17A1P2RX3SYKATR
SCHEMBL1970778 0.88 CYP17A1 (0.46) AAK1CYP17A1P2RX3SYKATR
SCHEMBL16992932 0.87 CYP17A1 (0.44) AAK1CYP17A1P2RX3SYKATR
SCHEMBL14923617 0.85 CYP17A1 (0.43) AAK1CYP17A1P2RX3SYKATR
SCHEMBL21262226 0.85 ATR (0.44) AAK1CYP17A1P2RX3ATRMAPKAPK2
SCHEMBL24196372 0.84 CYP17A1 (0.42) AAK1CYP17A1P2RX3SYKATR
SCHEMBL29918800 0.84 CYP17A1 (0.42) AAK1CYP17A1P2RX3SYKATR
SCHEMBL23483654 0.84 CYP17A1 (0.42) AAK1CYP17A1P2RX3SYKATR
SCHEMBL31435380 0.83 LMNA (0.47) AAK1CYP17A1P2RX3ATRMAPKAPK2
SCHEMBL24195797 0.83 ASPH (0.46) AAK1CYP17A1P2RX3SYKS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001893-A1 SMALL MOLECULE MODULATORS OF STAT6 GILEAD SCIENCES INC (US) 2026-01-01 — — US disclosed
US-20250320206-A1 STAT6 DEGRADERS GILEAD SCIENCES INC (US) 2025-10-16 — — US disclosed
US-20250320205-A1 STAT6 DEGRADERS GILEAD SCIENCES INC (US) 2025-10-16 — — US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 — — WO disclosed
US-20190241573-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 — — US disclosed
US-10336761-B2 TGFβ receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 — — US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 — — US disclosed
WO-2018015879-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-25 — — WO disclosed
WO-2017015425-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-26 — — WO disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 — — EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
WO-2013099041-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-07-04 — — WO disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — 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 (8 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK AAK1 1635/4885CYP17A1 3923/4885P2RX3 670/4885
US-20190241573-A1 ISOQUINOLINE DERIVATIVES AS PERK INHIBITORS PSEN1, CPT1A, IRS1 AAK1 1231/4885CYP17A1 2390/4885P2RX3 1051/4885
US-10336761-B2 TGFβ receptor antagonist TGFBR2, TGFBR1, SMAD2 AAK1 2257/4885CYP17A1 2194/4885P2RX3 677/4885
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS TGFBR2, TGFBR1, TGFB2 AAK1 2542/4885CYP17A1 2187/4885P2RX3 647/4885
US-20260001893-A1 SMALL MOLECULE MODULATORS OF STAT6 STAT6, NCOR1, NCOR2 AAK1 2902/4885CYP17A1 3496/4885P2RX3 1991/4885
US-20250320205-A1 STAT6 DEGRADERS STAT6, STAT1, STAT5B AAK1 1915/4885CYP17A1 2447/4885P2RX3 3516/4885
US-20250320206-A1 STAT6 DEGRADERS STAT6, STAT5B, STAT1 AAK1 1779/4885CYP17A1 2491/4885P2RX3 3584/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 AAK1 1519/4885CYP17A1 4205/4885P2RX3 84/4885

“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.