SCHEMBL21901151

SCHEMBL21901151

Cc1cc(Nc2cc3cn[nH]c3cc2C#CC(C)C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
P2RX7 Q99572 3/20 0.38
TGFBR1 P36897 2/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
CDC7 O00311 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
EGFR P00533 1/20 0.34
TNIK Q9UKE5 1/20 0.33
POLB P06746 1/20 0.33
EIF2AK2 P19525 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
SCHEMBL29535923 1.00 GRM4 (0.39) GRM4P2RX7TGFBR1GAAGFER
SCHEMBL30177011 0.91 MAOB (0.42) GRM4P2RX7TGFBR1ALDH1A1MAPT
SCHEMBL29370016 0.87 CDC7 (0.46) ALDH1A1MAPTKDM4ECDC7
SCHEMBL21900969 0.87 CDC7 (0.46) ALDH1A1MAPTKDM4ECDC7
SCHEMBL22655579 0.83 P2RX7 (0.38) GRM4P2RX7TGFBR1GAAGFER
SCHEMBL29536295 0.83 P2RX7 (0.38) GRM4P2RX7TGFBR1GAAGFER
SCHEMBL21901214 0.82 ROCK2 (0.42) GAAL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL21901335 0.82 MAPT (0.45) GRM4GAAALDH1A1MAPTKDM4E
SCHEMBL22655796 0.81 PTK2 (0.39) TGFBR1ALDH1A1MAPTKDM4E
SCHEMBL31085391 0.81 PTK2 (0.39) TGFBR1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID VERTEX PHARMA (US) 2024-01-04 US disclosed
CN-116897157-A Solid forms of 4- (5- (4-fluorophenyl) -6- (tetrahydro-2H-pyran-4-yl) -1, 5-dihydropyrrolo [2,3-F ] indazol-7-yl) benzoic acid 弗特克斯药品有限公司 2023-10-17 CN disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMA (US) 2023-08-24 US disclosed
US-11623924-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-11 US disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP disclosed
CN-114096542-A Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2022-02-25 CN disclosed
CN-113164761-A Modulators of alpha-1 antitrypsin 弗特克斯药品有限公司 2021-07-23 CN disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2021-06-17 US disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2020081257-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-23 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 (8 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 GRM4 4742/4885P2RX7 4781/4885TGFBR1 713/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 GRM4 4742/4885P2RX7 4781/4885TGFBR1 713/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 GRM4 4742/4885P2RX7 4781/4885TGFBR1 713/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 GRM4 4742/4885P2RX7 4781/4885TGFBR1 713/4885
US-11623924-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885P2RX7 4307/4885TGFBR1 1116/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885P2RX7 4307/4885TGFBR1 1116/4885
US-20240002386-A1 SOLID FORMS OF 4-(5-(4-FLUOROPHENYL)-6-(TETRAHYDRO-2H-PYRAN-4-YL)-1,5-DIHYDROPYRROLO[2,3-F]INDAZOL-7-YL)BENZOIC ACID SERPINA2, SERPINE1, SERPINH1 GRM4 4694/4885P2RX7 3778/4885TGFBR1 840/4885
US-20230265080-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 GRM4 4671/4885P2RX7 4307/4885TGFBR1 1116/4885

“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.