SCHEMBL21900948

SCHEMBL21900948

Fc1ccc(Nc2cc3cn[nH]c3cc2C#CC2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.41
HTR2A P28223 5/20 0.40
HTR2C P28335 3/20 0.40
KDR P35968 1/20 0.39
SYK P43405 4/20 0.38
BTK Q06187 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK2 O75116 1/20 0.36
CCR2 P41597 1/20 0.36
ROCK1 Q13464 1/20 0.36
GRM5 P41594 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
PIK3CA P42336 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
SCHEMBL29536029 1.00 CDC7 (0.41) CDC7HTR2AHTR2CKDRSYK
SCHEMBL29536009 0.90 MAOB (0.39) SYKROCK2CCR2ROCK1GRM5
SCHEMBL22688255 0.90 MAOB (0.39) SYKROCK2CCR2ROCK1GRM5
SCHEMBL26321523 0.90 ALDH1A1 (0.38) CDC7SYKBTKROCK2CCR2
SCHEMBL22655827 0.88 CDC7 (0.39) CDC7HTR2AHTR2CKDRSYK
SCHEMBL21900955 0.88 PDGFRB (0.36) SYKROCK2ROCK1GRM5PIK3CA
SCHEMBL21901248 0.86 GRM5 (0.37) CDC7GRM5MKNK1PIK3CA
SCHEMBL21901866 0.86 CDC7 (0.40) CDC7HTR2AHTR2CKDRSYK
SCHEMBL23887925 0.85 MKNK1 (0.37) KDRSYKROCK2ROCK1MKNK1
SCHEMBL22688258 0.85 CDC7 (0.36) CDC7HTR2AHTR2CKDRSYK

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 US claimed
CN-116234809-A Methods of preparing alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-06-06 CN claimed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP claimed
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 claimed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO claimed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US claimed
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-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 US disclosed
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 US 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 (7 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 CDC7 3618/4885HTR2A 3839/4885HTR2C 4262/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885HTR2A 3839/4885HTR2C 4262/4885
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINE1 CDC7 4596/4885HTR2A 3953/4885HTR2C 4604/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885HTR2A 3839/4885HTR2C 4262/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 CDC7 3618/4885HTR2A 3839/4885HTR2C 4262/4885
US-20210179587-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 CDC7 3537/4885HTR2A 4721/4885HTR2C 4848/4885
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 CDC7 3727/4885HTR2A 4817/4885HTR2C 4806/4885

“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.