SCHEMBL981630

SCHEMBL981630

COCCOc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.71
MAOA P21397 6/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL107322 0.91 MAOB (0.83) MAOBMAOARAB9ANPC1TSHR
SCHEMBL8218553 0.90 MAOB (0.71) MAOBMAOARAB9ANPC1TSHR
SCHEMBL108114 0.85 MAOB (0.74) MAOBMAOARAB9ANPC1TSHR
SCHEMBL767827 0.84 MAOB (0.58) MAOBMAOARAB9ANPC1TSHR
SCHEMBL984460 0.84 MAOB (0.68) MAOBMAOARAB9ANPC1TSHR
SCHEMBL984528 0.84 MAOB (0.68) MAOBMAOARAB9ANPC1TSHR
SCHEMBL11802724 0.84 MAOB (0.72) MAOBMAOARAB9ANPC1TSHR
SCHEMBL11695159 0.83 MAOB (0.69) MAOBMAOARAB9ANPC1TSHR
SCHEMBL8672485 0.83 MAOB (1.00) MAOBMAOARAB9ANPC1TSHR
SCHEMBL11585486 0.82 MAOB (0.68) MAOBMAOARAB9ANPC1TSHR

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 MAOB 81/4885MAOA 101/4885RAB9A 3201/4885

“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.