SCHEMBL23409951

SCHEMBL23409951

O=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 11/20 0.59
▸ MAPK14 Q16539 7/20 0.59
▸ ALOX15 P16050 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ YWHAG P61981 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TGFBR2 P37173 1/20 0.36
▸ ABL2 P42684 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL28822071 0.93 TGFBR1 (0.69) TGFBR1MAPK14TSHRAURKAAURKB
SCHEMBL28822077 0.91 TGFBR1 (0.59) TGFBR1MAPK14LMNA
SCHEMBL29959820 0.91 TGFBR1 (0.59) TGFBR1MAPK14ALOX15PKMYWHAG
SCHEMBL23409664 0.91 TGFBR1 (0.59) TGFBR1MAPK14ALOX15PKMYWHAG
SCHEMBL28822090 0.91 TGFBR1 (0.62) TGFBR1MAPK14ALOX15PKMYWHAG
SCHEMBL31519383 0.90 TGFBR1 (0.61) TGFBR1MAPK14ALOX15PKMYWHAG
Hydrochloric Acid SCHEMBL23409670 0.89 TGFBR1 (0.60) TGFBR1MAPK14ALOX15PKMYWHAG
SCHEMBL23409949 0.89 TGFBR1 (0.56) TGFBR1MAPK14ALDH1A1HDAC6LMNA
SCHEMBL23409674 0.89 TGFBR1 (0.56) TGFBR1MAPK14ALOX15PKMYWHAG
SCHEMBL23409666 0.89 TGFBR1 (0.56) TGFBR1MAPK14ALOX15PKMYWHAG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 Agomab Spain, S.L.U. (ES) 2025-05-13 — — US claimed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 — — CN claimed
US-20230025933-A1 Benzylamide Derivatives as Inhibitors of Transforming Growth Factor-Beta Receptor I/Alk5 Agomab Spain, S.L.U. (ES) 2023-01-26 — — US claimed
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 — — EP claimed
CN-114787145-A Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 奥里戈生物制药有限公司 2022-07-22 — — CN claimed
WO-2021105317-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 ORIGO BIOPHARMA, S.L. (ES) 2021-06-03 — — WO claimed
CN-114787145-B Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 阿戈麦布西班牙股份有限公司 2024-03-26 — — CN disclosed
EP-4065572-A1 BENZYLAMIDE DERIVATIVES AS INHIBITORS OF TRANSFORMING GROWTH FACTOR-BETA RECEPTOR I/ALK5 Origo Biopharma, S.L. (ES) 2022-10-05 — — EP disclosed
CN-114787145-A Benzamide derivatives as transforming growth factor-beta receptor I/ALK5 inhibitors 奥里戈生物制药有限公司 2022-07-22 — — CN 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 (2 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-12297186-B2 Benzylamide derivatives as inhibitors of transforming growth factor-beta receptor I/ALK5 TGFBR2, TGFBR1, ACVR1 TGFBR1 2/4885MAPK14 1610/4885ALOX15 743/4885
US-20230025933-A1 Benzylamide Derivatives as Inhibitors of Transforming Growth Factor-Beta Receptor I/Alk5 TGFBR2, TGFBR1, ACVR1 TGFBR1 2/4885MAPK14 1610/4885ALOX15 743/4885

“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.

Send feedback