SCHEMBL983915

SCHEMBL983915

COc1cc(O)c(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
HMGCR P04035 1/20 0.41
PTPN1 P18031 4/20 0.41
DPP4 P27487 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
HTT P42858 2/20 0.39
EP300 Q09472 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL983129 0.92 PTGS2 (0.44) ALOX5PTGS2HMGCRPTPN1DPP4
SCHEMBL27028586 0.83 ALOX5 (0.44) ALOX5PTGS2HMGCRESR1ESR2
SCHEMBL13993593 0.82 LCK (0.52) ALOX5PTGS2HMGCRPTPN1DPP4
SCHEMBL29560669 0.82 LCK (0.52) ALOX5PTGS2HMGCRPTPN1DPP4
SCHEMBL7788363 0.80 ALOX5 (0.48) ALOX5PTGS2PTPN1DPP4HTT
SCHEMBL8579736 0.80 ALOX5 (0.48) ALOX5PTGS2PTPN1DPP4CYP1A1
SCHEMBL24445889 0.80 HMGCR (0.45) PTGS2HMGCRESR1ESR2HTT
SCHEMBL435716 0.80 POLB (0.41) ALOX5PTGS2HTTLMNAMAPK1
SCHEMBL30745361 0.80 POLB (0.41) ALOX5PTGS2HTTLMNAMAPK1
SCHEMBL984259 0.80 KDM4E (0.33) HMGCRPTPN1DPP4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses UNIVERSITE DE CAEN NORMANDIE (FR) 2021-11-04 US disclosed
EP-3817551-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF Université de Caen Normandie (FR) 2021-05-12 EP disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 WO disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 WO disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US 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
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
EP-2470531-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2011023696-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES 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 (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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A ALOX5 349/4885PTGS2 221/4885HMGCR 3030/4885
US-20210337789-A1 Derivatives of m-Guaiacol, Their Preparation and Their Uses MPG, MGLL, GANC ALOX5 829/4885PTGS2 2391/4885HMGCR 852/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A ALOX5 1411/4885PTGS2 439/4885HMGCR 2800/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A ALOX5 1150/4885PTGS2 360/4885HMGCR 2382/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ALOX5 867/4885PTGS2 177/4885HMGCR 1850/4885

“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.