SCHEMBL20517178

SCHEMBL20517178

CCc1ccncc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.40
LIPG Q9Y5X9 6/20 0.40
CYP2E1 P05181 4/20 0.40
CYP2C8 P10632 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2A6 P11509 4/20 0.40
CYP2B6 P20813 4/20 0.40
CYP2C19 P33261 4/20 0.40
UCHL1 P09936 1/20 0.38
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
F11 P03951 1/20 0.36
AOC1 P19801 4/20 0.35
AOC3 Q16853 4/20 0.35
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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
SCHEMBL30107439 1.00 LPL (0.40) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL24456240 0.87 LPL (0.37) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL18356347 0.85 F11 (0.38) LPLLIPGUCHL1F11AOC1
SCHEMBL23295525 0.83 CYP11B1 (0.38) LPLLIPGUCHL1F11
SCHEMBL29542703 0.83 CYP11B1 (0.38) LPLLIPGUCHL1F11
SCHEMBL2352761 0.77 LPL (0.34) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL29515710 0.77 LPL (0.34) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL29572040 0.77 HTT (0.37) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL4119052 0.77 HTT (0.37) LPLLIPGCYP2E1CYP2C8CYP2D6
SCHEMBL166233 0.76 GAA (0.34) LPLLIPGUCHL1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP disclosed
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 US disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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 (9 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS LPL 4560/4885LIPG 3195/4885CYP2E1 3224/4885
US-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 LPL 2894/4885LIPG 2767/4885CYP2E1 3261/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 LPL 3043/4885LIPG 2132/4885CYP2E1 3778/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS LPL 4159/4885LIPG 3022/4885CYP2E1 3944/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR LPL 2539/4885LIPG 1344/4885CYP2E1 4788/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 LPL 2894/4885LIPG 2767/4885CYP2E1 3261/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 LPL 2894/4885LIPG 2767/4885CYP2E1 3261/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 LPL 2922/4885LIPG 2923/4885CYP2E1 3636/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS LPL 4159/4885LIPG 3022/4885CYP2E1 3944/4885

“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.