SCHEMBL358180

SCHEMBL358180

COc1cc2ccc(Br)cc2cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.54
POLB P06746 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GPR35 Q9HC97 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45

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
Hydrochloric Acid SCHEMBL9736423 0.98 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9736415 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL31187398 0.87 MEN1 (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL358977 0.87 MEN1 (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL22149604 0.86 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL978583 0.85 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8204839 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5695675 0.83 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28552806 0.83 KMT2A (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL617928 0.82 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894823-A Naphthylamide compound serving as VEGFR inhibitor and application thereof 重庆医科大学 2024-11-05 CN disclosed
CN-108329232-B Hydrazide derivative and application thereof 浙江大学 2021-04-16 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-6211385-B1 STARTING FROM THIOCHROMAN-4-ONE COMPOUND ALLERGAN SALES, INC. 2001-04-03 US disclosed
WO-2000068220-A1 PROCESS FOR PREPARING SUBSTITUTED BENZO[1,2-G]-CHROM-3-ENE, BENZO[1,2-G]-THIOCHROM-3-ENE AND BENZO[1,2-G]-1,2-DIHYDROQUINOLINE DERIVATIVES ALLERGAN SALES, INC. (US) 2000-11-16 WO disclosed
US-6043381-A Process for preparing substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo[1,2-g]-1,2-dihydroquinoline derivatives ALLERGAN SALES, INC. (US) 2000-03-28 US disclosed
US-5426189-A Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-06-20 US disclosed
US-5334728-A Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-08-02 US disclosed
US-5186921-A 3-methoxy-n(1-ethyl-2-pyrrolidinyl)methyl)naphthyl-2-carboxy amide compounds for imaging human brains; good retention stability TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1993-02-16 US disclosed
US-5122361-A 2-Pyrrolidinylmethylcarboxamido-2,3-dihydrobenzofuran type compounds TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1992-06-16 US disclosed
EP-0393838-A1 Dopamine receptor ligands and imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1990-10-24 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 (4 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885ALDH1A1 2519/4885HPGD 3857/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885ALDH1A1 2519/4885HPGD 3857/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885ALDH1A1 2519/4885HPGD 3857/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885ALDH1A1 2519/4885HPGD 3857/4885

“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.