SCHEMBL985689

SCHEMBL985689

C1=COC(c2cccc(OCC3CCC3)c2)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.43
PARP10 Q53GL7 5/20 0.43
TLR4 O00206 2/20 0.43
TLR2 O60603 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
PARP2 Q9UGN5 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL983385 0.94 TLR4 (0.45) PARP15PARP10TLR4TLR2MAOA
SCHEMBL7975035 0.80 ALDH1A1 (0.70) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL984346 0.78 TP53 (0.49) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL5346832 0.76 SMN1; SMN2 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL1276629 0.75 MAOB (0.46) MAOAMAOBALDH1A1TP53CYP3A4
SCHEMBL5725738 0.75 SMN1; SMN2 (0.38) MAOAMAOBALDH1A1TP53CYP3A4
SCHEMBL984529 0.75 KMT2A (0.46) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL767828 0.75 CYP3A4 (0.39) MAOBALDH1A1TP53CYP3A4TSHR
SCHEMBL10188240 0.74 ALDH1A1 (0.49) PARP15PARP10TLR4TLR2ALDH1A1
SCHEMBL16180720 0.74 MAOB (0.50) PARP15PARP10TLR4TLR2MAOB

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 PARP15 227/4885PARP10 1059/4885TLR4 4513/4885

“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.