SCHEMBL21439802

SCHEMBL21439802

Cn1nc(I)c2c(N)nccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NOS3 P29474 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ KDR P35968 4/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL30566253 1.00 RET (0.40) RETADORA2AADORA2BADORA1NOS3
SCHEMBL12263828 0.80 RET (0.41) RETADORA2AADORA2BADORA1NOS3
SCHEMBL30566171 0.79 RXFP1 (0.39) —
SCHEMBL13966385 0.79 RXFP1 (0.39) —
SCHEMBL2429551 0.78 NOS2 (0.35) RETADORA2AADORA2BADORA1NOS3
SCHEMBL29897212 0.78 RET (0.53) RETKDR
SCHEMBL1482339 0.78 RET (0.53) RETKDR
SCHEMBL13966369 0.76 CCR4 (0.32) LRRK2
SCHEMBL2425869 0.76 AHCY (0.34) RETADORA2AADORA2BADORA1KDR
SCHEMBL5814297 0.76 RET (0.39) RETADORA2AADORA2BADORA1KDR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 — — EP disclosed
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-04-10 — — US disclosed
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-02-20 — — US disclosed
EP-4452977-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 — — EP disclosed
EP-4452978-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 — — EP disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 — — US disclosed
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 — — WO disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 — — US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 — — US disclosed
EP-3774797-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF Merck Patent GmbH (DE) 2021-02-17 — — EP disclosed
CN-112236429-A Heteroaryl compounds as type II IRAK inhibitors and uses thereof 默克专利有限公司 2021-01-15 — — CN disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 — — WO disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 — — 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 (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-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES FGFR1, FGFR2, FGFR3 RET 34/4885ADORA2A 2538/4885ADORA2B 4079/4885
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 RET 861/4885ADORA2A 2500/4885ADORA2B 3390/4885
US-20250115598-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 RET 1795/4885ADORA2A 2301/4885ADORA2B 3135/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 RET 900/4885ADORA2A 2360/4885ADORA2B 3306/4885
US-20250059188-A1 ARYLSULPHONAMIDE COMPOUNDS MLKL, CASP1, CASP9 RET 1406/4885ADORA2A 2347/4885ADORA2B 2946/4885

“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.

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