SCHEMBL4296773

SCHEMBL4296773

COc1cc(Br)cnc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.36
NQO2 P16083 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
ALOX12 P18054 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SHMT2 P34897 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
ERN1 O75460 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MEN1 O00255 1/20 0.34
HTR1A P08908 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
SCHEMBL23292092 0.81 EGFR (0.33) DYRK1BALDH1A1MAPTALOX12RAB9A
SCHEMBL29021806 0.80 GRM5 (0.44) ALDH1A1MAPTNPC1HTTKMT2A
SCHEMBL30683028 0.80 PLAU (0.36) ALDH1A1KMT2APOLBMEN1
SCHEMBL26931925 0.80 PLAU (0.36) ALDH1A1KMT2APOLBMEN1
SCHEMBL9628 0.78 CHRNB2 (0.49) DYRK1BNQO2ALDH1A1MAPTALOX12
SCHEMBL10112980 0.77 CA12 (0.41) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL10112981 0.77 ACHE (0.43) ALDH1A1MAPTALOX12RAB9ANPSR1
SCHEMBL29611762 0.77 PIK3CA (0.49) DYRK1BNQO2ALDH1A1MAPTALOX12
SCHEMBL8916 0.77 PIK3CA (0.49) DYRK1BNQO2ALDH1A1MAPTALOX12
SCHEMBL188851 0.77 ALDH1A1 (0.46) DYRK1BNQO2ALDH1A1MAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA BOSTON INC. 2025-05-01 US disclosed
US-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 US disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
CN-118748992-A Novel modulators of aryl hydrocarbon receptors and methods of use thereof 元启(苏州)生物制药有限公司 2024-10-08 CN disclosed
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 EP disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
CN-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 CN disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 CN disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (5 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-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 DYRK1B 1390/4885NQO2 67/4885ALDH1A1 3831/4885
US-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF AHR, ARNT, NR1H2 DYRK1B 2943/4885NQO2 770/4885ALDH1A1 469/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 DYRK1B 1651/4885NQO2 1023/4885ALDH1A1 2019/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 DYRK1B 1997/4885NQO2 1128/4885ALDH1A1 2061/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 DYRK1B 1338/4885NQO2 1599/4885ALDH1A1 1591/4885

“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.