SCHEMBL30176991

SCHEMBL30176991

COc1cc(Nc2cc3cn[nH]c3c(F)c2Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ GRM4 Q14833 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ RET P07949 3/20 0.38
▸ KDR P35968 1/20 0.38
▸ IGF1R P08069 2/20 0.36
▸ AXL P30530 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.35

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
SCHEMBL23887998 1.00 IDO1 (0.43) IDO1TDO2GRM4KCNH2PIM1
SCHEMBL30936740 0.92 IDO1 (0.36) IDO1TDO2GRM4KCNH2PIM1
SCHEMBL30936709 0.87 ADORA3 (0.42) IDO1TDO2PIM1ADORA3ADORA1
SCHEMBL27216876 0.87 ADORA3 (0.42) IDO1TDO2PIM1ADORA3ADORA1
SCHEMBL27216867 0.86 MAOB (0.40) IDO1GRM4MKNK1TGFBR1
SCHEMBL30936725 0.86 MAOB (0.40) IDO1GRM4MKNK1TGFBR1
SCHEMBL30936711 0.85 TGFBR1 (0.38) IDO1TDO2GRM4TGFBR1
SCHEMBL27216850 0.85 TGFBR1 (0.38) IDO1TDO2GRM4TGFBR1
SCHEMBL30936735 0.82 MAOB (0.43) IDO1TDO2GRM4TGFBR1BRAF
SCHEMBL27216835 0.82 MAOB (0.43) IDO1TDO2GRM4TGFBR1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120166990-A Alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2025-06-17 — — CN disclosed
US-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-05-16 — — US disclosed
EP-4126877-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 — — EP 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-20240158404-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 IDO1 2398/4885TDO2 4425/4885GRM4 4671/4885

“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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