SCHEMBL28822096

SCHEMBL28822096

Cc1cccc(C)c1CNC(=O)Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 15/20 0.56
▸ MAPK14 Q16539 7/20 0.56
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ YWHAG P61981 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL28822066 0.91 TGFBR1 (0.64) TGFBR1MAPK14
SCHEMBL29959791 0.91 TGFBR1 (0.56) TGFBR1MAPK14AURKAAURKBLIPG
SCHEMBL23409669 0.91 TGFBR1 (0.56) TGFBR1MAPK14AURKAAURKBLIPG
SCHEMBL28822069 0.89 TGFBR1 (0.56) TGFBR1MAPK14AURKAAURKBTHRB
SCHEMBL23409664 0.88 TGFBR1 (0.59) TGFBR1MAPK14AURKAAURKBTHRB
SCHEMBL29959820 0.88 TGFBR1 (0.59) TGFBR1MAPK14AURKAAURKBTHRB
SCHEMBL28822071 0.88 TGFBR1 (0.69) TGFBR1MAPK14AURKAAURKBALDH1A1
SCHEMBL23409961 0.88 TGFBR1 (0.59) TGFBR1MAPK14AURKAAURKBTHRB
SCHEMBL29959467 0.88 TGFBR1 (0.59) TGFBR1MAPK14AURKAAURKBTHRB
SCHEMBL23409951 0.85 TGFBR1 (0.59) TGFBR1MAPK14AURKAAURKBTHRB

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 7 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
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
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 (1 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 1610/4885AURKA 3863/4885

“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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