SCHEMBL983772

SCHEMBL983772

COCCOc1cc(OC)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HDAC8 Q9BY41 3/20 0.42
KDM1A O60341 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
APLNR P35414 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL4697918 0.86 MTNR1A (0.44) CA12CA1CA2CA7CA9
SCHEMBL30594517 0.86 CA12 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL27810349 0.86 AHR (0.45) CA12CA1CA2CA7CA9
SCHEMBL19738090 0.86 CA12 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL22638161 0.86 MAPK1 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL31583912 0.84 PTPN1 (0.49) SLC6A4CA12CA1CA2CA7
SCHEMBL152145 0.84 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL30926051 0.84 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL6952285 0.82 MAPT (0.46) CA12CA1CA2CA7CA9
SCHEMBL24993556 0.81 CA12 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 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 (1 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 SLC6A4 2375/4885CA12 2811/4885CA1 1595/4885

“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.