SCHEMBL403213

SCHEMBL403213

O=C(O)c1ccc(CBr)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HA1 P13674 3/20 0.55
▸ P4HTM Q9NXG6 2/20 0.55
▸ MIF P14174 1/20 0.53
▸ GABRP O00591 1/20 0.52
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GABRA4 P48169 1/20 0.52
▸ GABRE P78334 1/20 0.52
▸ GABRA6 Q16445 1/20 0.52
▸ GABRG1 Q8N1C3 1/20 0.52
▸ GABRG3 Q99928 1/20 0.52
▸ GABRQ Q9UN88 1/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52

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
SCHEMBL27191301 0.85 P4HA1 (0.52) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL30024515 0.84 KCNJ1 (0.44) P4HA1P4HTMHPGDHCAR3MAPT
SCHEMBL16213698 0.84 KCNJ1 (0.44) P4HA1P4HTMHPGDHCAR3MAPT
SCHEMBL19876773 0.82 P4HA1 (0.53) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL5175746 0.82 NNMT (0.55) GABRA5L3MBTL1
SCHEMBL28210133 0.82 P4HA1 (0.48) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL31884418 0.82 P4HA1 (0.57) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL150492 0.82 P4HA1 (0.57) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL31906275 0.80 GABRP (0.57) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL9319315 0.80 P4HA1 (0.55) P4HA1P4HTMMIFGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132502-A1 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 — — US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
CN-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 — — CN disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders ACCUTAR BIOTECHNOLOGY INC. (US) 2022-12-20 — — US disclosed
CN-111662554-B Polyacetal composition and preparation method and application thereof 万华化学集团股份有限公司 2022-03-11 — — CN disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
EP-3768264-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE Virginia Commonwealth University (US) 2021-01-27 — — EP disclosed
CN-106456602-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2020-11-24 — — CN disclosed
CN-111662554-A Polyacetal composition and preparation method and application thereof 万华化学集团股份有限公司 2020-09-15 — — CN disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 — — EP disclosed
EP-0850909-B1 Stilbene compounds with adamantyl group, compositions containing the same and uses CT INTERNAT DE (FR) 2001-03-21 — — EP disclosed
CN-1278820-A Pyrrolopyrrolone derivatives as inhibitors of neutrophil elastase GLAXO GROUP LTD (GB) 2001-01-03 — — CN disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 — — EP disclosed
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 — — EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 — — US disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 — — WO disclosed
EP-0850909-A1 Stilbene compounds with adamantyl group, compositions containing the same and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-07-01 — — EP disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 — — EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 — — 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 (5 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-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders BTK, LYN, SYK P4HA1 1842/4885P4HTM 2172/4885MIF 570/4885
US-20240132502-A1 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS BTK, LYN, SYK P4HA1 2588/4885P4HTM 2161/4885MIF 975/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HA1 203/4885P4HTM 85/4885MIF 3443/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HA1 239/4885P4HTM 106/4885MIF 3461/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO P4HA1 203/4885P4HTM 85/4885MIF 3443/4885

“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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