SCHEMBL112761

SCHEMBL112761

COc1ncc(Br)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CASP1 P29466 1/20 0.53
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
TTK P33981 1/20 0.51
INCENP Q9NQS7 1/20 0.51
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
PIK3CA P42336 2/20 0.43
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SHMT2 P34897 1/20 0.35
DYRK1B Q9Y463 3/20 0.35
DYRK1A Q13627 2/20 0.35
IDO1 P14902 2/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35

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
Hydrochloric Acid SCHEMBL456871 0.98 MAPT (0.51) MAPTCASP1AURKAAURKBTTK
SCHEMBL790757 0.80 KMT2A (0.41) MAPTCASP1AURKAAURKBTTK
SCHEMBL789861 0.79 HTT (0.39) MAPTCASP1AURKAAURKBTTK
SCHEMBL29540711 0.78 MAPT (0.56) MAPTCASP1AURKAAURKBTTK
SCHEMBL8986074 0.78 MAPT (0.56) MAPTCASP1AURKAAURKBTTK
SCHEMBL1882789 0.78 HTT (0.46) MAPTCASP1AURKAAURKBTTK
SCHEMBL91467 0.77 MAPT (0.55) MAPTCASP1AURKAAURKBTTK
SCHEMBL323430 0.77 AAK1 (0.38) MAPTCASP1AURKAAURKBTTK
SCHEMBL8916 0.77 PIK3CA (0.49) MAPTKMT2AHTTPIK3CAPOLB
SCHEMBL29611762 0.77 PIK3CA (0.49) MAPTKMT2AHTTPIK3CAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120887867-B Quinoline biaryl heterocycle PI3K/HDAC double-target small molecule inhibitor and application thereof 浙江中医药大学 2026-05-15 CN claimed
CN-116262758-B 7-Methylthiazolo [5,4-d ] pyrimidine compound, preparation method and application thereof 上海博悦生物科技有限公司 2025-02-28 CN claimed
CN-117964621-A Imidazopyridine derivative and preparation method and application thereof 河北科技大学 2024-05-03 CN claimed
CN-117964622-A Novel isoxazole compound and preparation method and application thereof 河北科技大学 2024-05-03 CN claimed
CN-122080012-A Thienopyrimidine derivative, preparation method, application and pharmaceutical composition thereof 2026-05-26 CN disclosed
CN-120887867-B Quinoline biaryl heterocycle PI3K/HDAC double-target small molecule inhibitor and application thereof 浙江中医药大学 2026-05-15 CN disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
US-12391673-B2 LANCL ligands NIMMUNE BIOPHARMA, INC. (US) 2025-08-19 US disclosed
US-20250206728-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER COILED THERAPEUTICS, INC. 2025-06-26 US disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
CN-120040441-A Compositions and methods for treating cancer A2A制药有限公司 2025-05-27 CN disclosed
US-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 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 (7 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-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 MAPT 4666/4885CASP1 482/4885AURKA 605/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L MAPT 3374/4885CASP1 3275/4885AURKA 118/4885
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG MAPT 3879/4885CASP1 1702/4885AURKA 834/4885
US-12391673-B2 LANCL ligands LANCL2, LANCL1, ACSL1 MAPT 2412/4885CASP1 246/4885AURKA 3999/4885
US-20250206728-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NTPCR, PTPRC, NFATC1 MAPT 2916/4885CASP1 3245/4885AURKA 2231/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS MAPT 4847/4885CASP1 3991/4885AURKA 1709/4885
US-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF MAPT 3897/4885CASP1 1783/4885AURKA 773/4885

“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.