SCHEMBL2443701

SCHEMBL2443701

Fc1ccc(Oc2cc3cn[nH]c3cc2Br)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.48
EPAS1 Q99814 1/20 0.43
MAPK14 Q16539 4/20 0.43
TRPA1 O75762 7/20 0.41
NOS1 P29475 2/20 0.40
METAP2 P50579 2/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK8 P45983 1/20 0.37
FGFR2 P21802 1/20 0.37
TLR8 Q9NR97 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL30194137 1.00 AXL (0.48) AXLEPAS1MAPK14TRPA1NOS1
SCHEMBL30194080 0.87 NOS1 (0.48) AXLEPAS1TRPA1NOS1METAP2
SCHEMBL28509646 0.87 NOS1 (0.48) AXLEPAS1TRPA1NOS1METAP2
SCHEMBL20155327 0.85 TRPA1 (0.45) AXLMAPK14TRPA1MAPK8FGFR2
SCHEMBL20160340 0.84 MAPK14 (0.43) MAPK14TRPA1NOS1MAPK8FGFR2
SCHEMBL31371559 0.82 CTNNB1 (0.41) MAPK14TRPA1CSNK2A1DYRK1A
SCHEMBL680304 0.82 MAPT (0.53) AXLNOS1
SCHEMBL680269 0.81 METAP2 (0.53) AXLTRPA1NOS1METAP2CSNK2A1
SCHEMBL5043115 0.78 ROCK1 (0.52) EPAS1MAPK14TRPA1NOS1METAP2
SCHEMBL28512403 0.78 TRPA1 (0.56) EPAS1TRPA1CSNK2A1BRD4

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-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 CN disclosed
CN-112300154-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2021-02-02 CN disclosed
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1883404-A1 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-02-06 EP disclosed
WO-2007126871-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-11-08 WO disclosed
US-20060264431-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2006-11-23 US disclosed
WO-2006122230-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-16 WO disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US 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-20060264431-A1 P38 inhibitors and methods of use thereof MAPK1, MAP3K1, MAP3K7 AXL 2591/4885EPAS1 1504/4885MAPK14 34/4885
US-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 AXL 296/4885EPAS1 2398/4885MAPK14 523/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 AXL 2545/4885EPAS1 1433/4885MAPK14 39/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 AXL 296/4885EPAS1 2398/4885MAPK14 523/4885

“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.