SCHEMBL1649588

SCHEMBL1649588

O=C(O)c1cnc2ccc(Br)cn12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.47
ADORA2A P29274 2/20 0.46
MAP3K14 Q99558 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TGFBR2 P37173 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
EPHB3 P54753 2/20 0.39
CLK1 P49759 2/20 0.39

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
SCHEMBL12850103 0.85 ADORA2A (0.45) TGFBR1ADORA2AMAP3K14TGFBR2PIK3CA
SCHEMBL21084989 0.85 TGFBR1 (0.51) TGFBR1TGFBR2
SCHEMBL1614377 0.85 ADORA2A (0.47) TGFBR1ADORA2AMAP3K14PIK3CAMTOR
SCHEMBL26979552 0.81 CLK1 (0.60) TGFBR1ADORA2APIK3CAMTOREPHB3
SCHEMBL3845576 0.81 ADORA2A (0.45) TGFBR1ADORA2AMAP3K14KDM4EALDH1A1
SCHEMBL15639434 0.81 PIK3CA (0.45) TGFBR1ADORA2AMAP3K14KDM4EALDH1A1
SCHEMBL31319817 0.81 ADORA2A (0.45) TGFBR1ADORA2AMAP3K14PIK3CAMTOR
SCHEMBL27077073 0.81 TGFBR1 (0.48) TGFBR1ADORA2ATGFBR2EPHB3CLK1
SCHEMBL9753957 0.81 KDM4E (0.50) TGFBR1ADORA2AKDM4ETGFBR2EPHB3
SCHEMBL25149857 0.80 ADORA2A (0.55) TGFBR1ADORA2AALDH1A1PIK3CAEPHB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415816-B1 PYRROLO[2,1-F][1,2,4]TRIAZINES DERIVATIVES AS INHIBITORS OF DYRK1A BIOSPLICE THERAPEUTICS INC (US) 2026-03-18 EP disclosed
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 US disclosed
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2025-07-03 US disclosed
US-20250206746-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2025-06-26 US disclosed
WO-2025137469-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF BIOSPLICE THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
CN-116425743-B Benzo heterocyclic compound serving as PI3K alpha kinase inhibitor, and preparation method and application thereof 贵州医科大学 2025-06-17 CN disclosed
US-20250171466-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF TENARX, INC. 2025-05-29 US disclosed
EP-4313293-B1 TETRAHYDROTHIENO PYRIDINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARM SPA (IT) 2025-05-07 EP disclosed
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 US disclosed
CN-119604506-A 4-Alkoxypyrrolo [2,1-f ] [1,2,4] triazines, preparation and use thereof 拜斯丽治疗有限公司 2025-03-11 CN disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012116237-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2012-08-30 WO disclosed
WO-2012082689-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-06-21 WO disclosed
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 TGFBR1 3/4885ADORA2A 2893/4885MAP3K14 206/4885
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 TGFBR1 2189/4885ADORA2A 3674/4885MAP3K14 79/4885
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B TGFBR1 4056/4885ADORA2A 814/4885MAP3K14 209/4885
US-20250206746-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B TGFBR1 1554/4885ADORA2A 329/4885MAP3K14 182/4885
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB TGFBR1 2522/4885ADORA2A 1784/4885MAP3K14 37/4885
US-20250171466-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK2, DYRK1B TGFBR1 1627/4885ADORA2A 999/4885MAP3K14 228/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 TGFBR1 2370/4885ADORA2A 1760/4885MAP3K14 183/4885

“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.