SCHEMBL9275751

SCHEMBL9275751

COc1ncc(C)c(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.34
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
TSHR P16473 1/20 0.30
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL14853183 0.79 CCR1 (0.39) AGXTHTTRECQLCCR1CCR5
SCHEMBL23302010 0.79 RORC (0.33) HTTRECQLTSHR
SCHEMBL7845798 0.76 AGXT (0.52) AGXTHTTRECQLCCR1CCR5
SCHEMBL13674949 0.76 GAA (0.33) HTTRECQLMAPTCASP1AURKA
SCHEMBL23264653 0.75 UHRF1 (0.38) AGXTHTTRECQLMAPTCASP1
SCHEMBL5942430 0.75 CA2 (0.40) AGXTMAPTCASP1TSHR
SCHEMBL14853023 0.74 MAPT (0.38) AGXTHTTRECQLCCR1CCR5
SCHEMBL23723880 0.74 AGXT (0.34) AGXTHTTRECQLCCR1CCR5
SCHEMBL21634877 0.74 GAA (0.32) HTTRECQLMAPTCASP1TSHR
SCHEMBL14853139 0.74 AGXT (0.34) AGXTHTTRECQLCCR1CCR5

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
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES NOVIRA THERAPEUTICS, LLC 2023-02-09 US disclosed
EP-4051672-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-09-07 EP disclosed
CN-114650988-A Fluorinated quinoline and quinoxaline derivatives as inhibitors of dihydroorotate dehydrogenase (DHODH) for the treatment of cancer, autoimmune and inflammatory diseases 詹森生物科技公司 2022-06-21 CN disclosed
WO-2021084500-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 WO disclosed
EP-2982675-B1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF EISAI R&D MAN CO LTD (JP) 2017-08-16 EP disclosed
US-9573947-B2 Salt of pyrazoloquinoline derivative, and crystal thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-02-21 US disclosed
US-20160046623-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-18 US disclosed
EP-2982675-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF Eisai R&D Management Co., Ltd. (JP) 2016-02-10 EP disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 EP disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
US-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-06-06 US disclosed
WO-2013051639-A1 PYRAZOLOQUINOLINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2013-04-11 WO disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (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-20130143907-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B AGXT 1989/4885HTT 1703/4885RECQL 240/4885
US-20160046623-A1 SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF ME1, TST, ME3 AGXT 626/4885HTT 724/4885RECQL 932/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 AGXT 800/4885HTT 2688/4885RECQL 4381/4885
US-20230037448-A1 FLUORINATED QUINOLINE AND QUINOXALINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, NQO2, DPYD AGXT 1964/4885HTT 1444/4885RECQL 9/4885

“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.