SCHEMBL983129

SCHEMBL983129

COc1cc(Br)c(O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ALOX5 P09917 1/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ERN1 O75460 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1B1 P15121 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PRKDC P78527 1/20 0.38
TUBB1 Q9H4B7 2/20 0.38
PTPN1 P18031 2/20 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
SCHEMBL983915 0.92 ALOX5 (0.44) PTGS2ALOX5LMNAMAPK1HTT
SCHEMBL1129418 0.83 PTGS2 (0.44) PTGS2ALOX5POLBL3MBTL1LCK
SCHEMBL13993593 0.82 LCK (0.52) PTGS2ALOX5POLBL3MBTL1LCK
SCHEMBL29560669 0.82 LCK (0.52) PTGS2ALOX5POLBL3MBTL1LCK
SCHEMBL24436801 0.80 MAPK1 (0.42) PTGS2MAPTLMNAMAPK1HTT
SCHEMBL3838882 0.80 POLB (0.46) PTGS2ALOX5POLBL3MBTL1LCK
SCHEMBL15628229 0.80 ALOX5 (0.48) PTGS2ALOX5POLBL3MBTL1LCK
SCHEMBL12811595 0.80 HTR2A (0.52) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL16173473 0.80 MAOB (0.46) PTGS2LMNAMAPK1HTTRAB9A
SCHEMBL17169780 0.80 ALOX5 (0.48) PTGS2ALOX5POLBL3MBTL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US 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-2470531-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PTGS2 19/4885ALOX5 72/4885POLB 1369/4885
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PTGS2 221/4885ALOX5 349/4885POLB 242/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PTGS2 439/4885ALOX5 1411/4885POLB 1167/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A PTGS2 360/4885ALOX5 1150/4885POLB 594/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PTGS2 177/4885ALOX5 867/4885POLB 1780/4885

“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.