SCHEMBL981665

SCHEMBL981665

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
PARP1 P09874 1/20 0.39
STS P08842 1/20 0.39
POLB P06746 2/20 0.39
BTK Q06187 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL982023 0.92 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL984910 0.90 HPGDS (0.45) THRBBTK
SCHEMBL983499 0.90 BTK (0.48) BTK
SCHEMBL983497 0.90 BTK (0.48) BTK
SCHEMBL984673 0.90 BTK (0.48) BTK
SCHEMBL982565 0.89 HPGDS (0.39) TLR9TLR7
SCHEMBL981633 0.89 BTK (0.40) MEN1KMT2ABTK
SCHEMBL986466 0.87 HTR4 (0.36) BTK
SCHEMBL985000 0.86 MEN1 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL982971 0.86 HTR4 (0.40) ALDH1A1MEN1KMT2ABTK

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 2 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

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 ALDH1A1 924/4885L3MBTL1 4346/4885MAPT 4701/4885

“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.