SCHEMBL1028048

SCHEMBL1028048

COC(=O)c1ccc(C(Br)Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA7 P43166 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL28949912 0.94 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL21831286 0.88 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL198552 0.86 CA1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL14488009 0.84 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL18309215 0.84 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL29013792 0.84 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL10610953 0.83 CA1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL4640174 0.83 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL2484883 0.82 TSHR (0.59) CA1CA2CA12CA9CA14
SCHEMBL31455691 0.82 CA1 (0.52) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109896998-B 3, 4-dihydroisoquinoline sulfonamide compound and application thereof 复旦大学 2022-06-07 CN disclosed
EP-2940017-B1 Process for making compounds useful as inhibitors of ATR kinase VERTEX PHARMA (US) 2019-08-28 EP disclosed
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2019-07-04 US disclosed
US-9862709-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-09 US disclosed
US-9737522-B2 NMDA receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2017-08-22 US disclosed
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-10-01 US disclosed
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-07-16 US disclosed
US-9035053-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-19 US disclosed
US-8846686-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-30 US disclosed
WO-2014025942-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-02-13 WO disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 WO disclosed
EP-1057801-A2 Process for benzylic bromination ALBEMARLE CORPORATION (US) 2000-12-06 EP disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 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 (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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CA1 2903/4885CA2 1549/4885CA12 3122/4885
US-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 CA1 4398/4885CA2 3023/4885CA12 3347/4885
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 CA1 2828/4885CA2 1926/4885CA12 4147/4885
US-20150196540-A1 NMDA RECEPTOR MODULATORS AND USES RELATED THERETO GRIN2C, GRIN2A, GRIN3A CA1 735/4885CA2 1595/4885CA12 2318/4885
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, ATRIP, CHEK1 CA1 2764/4885CA2 1593/4885CA12 3981/4885

“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.