SCHEMBL983574

SCHEMBL983574

COc1cc(Br)c(OCC2CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HTR2A P28223 5/20 0.38
HTR2C P28335 4/20 0.38
KCNH2 Q12809 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR2B P41595 2/20 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
STK10 O94804 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
SCHEMBL15871 0.94 HTR2A (0.40) EGFRFGFR1FLT1FLT4KDR
SCHEMBL21957402 0.85 SCD (0.42) HTR2AHTR2CHTR2BFFAR4
SCHEMBL31027311 0.85 SCD (0.42) HTR2AHTR2CHTR2BFFAR4
SCHEMBL9896972 0.83 SCN9A (0.36) HTR2AHTR2CHTR2BRET
SCHEMBL985007 0.81 KCNH2 (0.36) EGFRFGFR1FLT1FLT4KDR
SCHEMBL18152879 0.77 SCN9A (0.46)
SCHEMBL12811595 0.77 HTR2A (0.52) HTR2AHTR2CTAAR1
SCHEMBL26932098 0.77 HTR2A (0.42) HTR2AHTR2CTAAR1
SCHEMBL984670 0.76 PDE4B (0.43) PDE4BPDE4D
SCHEMBL983839 0.74 TDP1 (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US 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 EGFR 4749/4885FGFR1 2793/4885FLT1 1351/4885
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A EGFR 4643/4885FGFR1 3252/4885FLT1 1882/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A EGFR 4577/4885FGFR1 2794/4885FLT1 1663/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A EGFR 4051/4885FGFR1 1395/4885FLT1 1298/4885

“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.