SCHEMBL29599774

SCHEMBL29599774

c1ccc2nncnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GPR3 P46089 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
PDPK1 O15530 1/20 0.37
ADORA2A P29274 2/20 0.37
PDE10A Q9Y233 1/20 0.34
TSHR P16473 1/20 0.33
DAPK3 O43293 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
SCHEMBL88615 1.00 EGFR (0.41) EGFRPI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL29733094 0.97 EGFR (0.39) EGFRPI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL29733087 0.97 EGFR (0.39) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL1285336 0.70 ALDH1A1 (0.39) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL3831708 0.70
SCHEMBL4937147 0.70 ALDH1A1 (0.39) MAPTALDH1A1ACHETSHRMAPK14
Strinoline SCHEMBL11278670 0.69 GPR3 (0.44) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL3819567 0.69
SCHEMBL8401811 0.69 PIK3CG (0.47) EGFRMAPTALDH1A1MAP4K4DYRK1A
SCHEMBL6028972 0.69 NQO2 (0.43) MAPTALDH1A1MAP4K4PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN claimed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP claimed
CN-116905240-A Automobile skylight composite fabric and preparation method thereof 金华市华尔汽车饰件有限公司 2023-10-20 CN claimed
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 CN claimed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN claimed
US-20260076967-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2026-03-19 US disclosed
US-12478624-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer TOLREMO THERAPEUTICS AG (CH) 2025-11-25 US disclosed
CN-116969901-B Preparation method of 1,2, 4-benzotriazine derivative 浙江师范大学 2025-09-16 CN disclosed
CN-116969901-B Preparation method of 1,2, 4-benzotriazine derivative 浙江师范大学 2025-09-16 CN disclosed
CN-116905240-B Automobile skylight composite fabric and preparation method thereof 金华市华尔汽车饰件有限公司 2025-08-26 CN disclosed
CN-119817591-A Application of benzo-1, 2, 4-triazineoxazepine compound 河北农业大学 2025-04-15 CN disclosed
EP-4508052-A1 NOVEL SEVEN-MEMBERED RING-FUSED COMPOUNDS PRISM BioLab Co., Ltd. (JP) 2025-02-19 EP disclosed
CN-109643758-B Crosslinked p-type dopants for p-type doping of organic hole conductors 默克专利股份有限公司 2023-05-02 CN disclosed
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 CN disclosed
US-20230064948-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2023-03-02 US disclosed
CN-115611824-A Nano-particles based on benzotriazine free radical compounds, preparation method and application of nano-particles in scavenging active oxygen of cells 郑州大学 2023-01-17 CN disclosed
CN-115611824-A Nano-particles based on benzotriazine free radical compounds, preparation method and application of nano-particles in scavenging active oxygen of cells 郑州大学 2023-01-17 CN disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
WO-2022158610-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-07-28 WO disclosed
WO-2022075486-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2022-04-14 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 (3 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-20260076967-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, XDH, SLC10A1 EGFR 360/4885PI4KA 3829/4885PI4K2B 3624/4885
US-20230064948-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER SLC10A1, SLC6A6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 1131/4885PI4KA 4124/4885PI4K2B 4497/4885
US-12478624-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer SLC10A1, SLC6A6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 1131/4885PI4KA 4124/4885PI4K2B 4497/4885

“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.