SCHEMBL15871

SCHEMBL15871

COc1cc(OCC2CC2)c(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR2B P41595 4/20 0.40
HTR2C P28335 3/20 0.40
EGFR P00533 4/20 0.39
FGFR1 P11362 4/20 0.39
FLT1 P17948 4/20 0.39
FLT4 P35916 4/20 0.39
KDR P35968 4/20 0.39
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDGFRB P09619 2/20 0.37
TEK Q02763 2/20 0.37
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
CIT O14578 1/20 0.37
GAK O14976 1/20 0.37
EPHB6 O15197 1/20 0.37
RIPK2 O43353 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL983574 0.94 EGFR (0.39) HTR2AHTR2BHTR2CEGFRFGFR1
SCHEMBL985007 0.87 KCNH2 (0.36) HTR2AHTR2BHTR2CEGFRFGFR1
SCHEMBL31027311 0.85 SCD (0.42) HTR2AHTR2BHTR2CFFAR4CNR2
SCHEMBL21957402 0.85 SCD (0.42) HTR2AHTR2BHTR2CFFAR4CNR2
SCHEMBL984670 0.82 PDE4B (0.43) PDE4BPDE4D
SCHEMBL9896972 0.79 SCN9A (0.36) HTR2AHTR2BHTR2CRETCNR2
SCHEMBL18152879 0.75 SCN9A (0.46)
SCHEMBL983839 0.74 TDP1 (0.47) SLC6A4PDE4BPDE4D
SCHEMBL983941 0.73 HTR2C (0.51) HTR2AHTR2BHTR2CSLC6A4FFAR4
SCHEMBL981699 0.73 TDP1 (0.46) SLC6A4PDE4BPDE4D

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
EP-2609065-B1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE ALBEMARLE CORP (US) 2015-07-08 EP claimed
EP-2609065-A1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE Albemarle Corporation (US) 2013-07-03 EP claimed
US-20130109887-A1 PROCESSES FOR PRODUCING 1-BROMO-2- (CYCLOPROPYL METHOXY)-5-FLUORO-4-METHOXYBENZENE ALBERMARLE CORPORATION (US) 2013-05-02 US claimed
WO-2012027134-A1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE ALBEMARLE CORPORATION (US) 2012-03-01 WO claimed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
EP-2609065-B1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE ALBEMARLE CORP (US) 2015-07-08 EP disclosed
CN-103201244-B Processes for producing 1-bromo-2 (cyclopropyl methoxy)-5 fluoro-4- methoxybenzene ALBEMARLE CORP 2015-06-17 CN disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
CN-103201244-A Processes for producing 1-bromo-2 (cyclopropyl methoxy)-5 fluoro-4- methoxybenzene ALBEMARLE CORP 2013-07-10 CN disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2012027134-A1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE ALBEMARLE CORPORATION (US) 2012-03-01 WO disclosed
WO-2012027134-A1 PROCESSES FOR PRODUCING 1-BROMO-2 (CYCLOPROPYL METHOXY)-5 FLUORO-4- METHOXYBENZENE ALBEMARLE CORPORATION (US) 2012-03-01 WO disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
WO-2011023696-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2A 3062/4885HTR2B 1921/4885HTR2C 1834/4885
US-20130109887-A1 PROCESSES FOR PRODUCING 1-BROMO-2- (CYCLOPROPYL METHOXY)-5-FLUORO-4-METHOXYBENZENE CYP4B1, CYP4X1, CYP1B1 HTR2A 1232/4885HTR2B 233/4885HTR2C 603/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR2A 1891/4885HTR2B 1305/4885HTR2C 1128/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HTR2A 3746/4885HTR2B 2850/4885HTR2C 2569/4885

“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.