SCHEMBL985264

SCHEMBL985264

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c[nH]c23)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PARP1 P09874 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BTK Q06187 1/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.40
BRD4 O60885 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP30 Q70CQ3 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 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
SCHEMBL981788 0.92 BRD4 (0.43) PARP1L3MBTL1MEN1KMT2ABTK
SCHEMBL984309 0.92 ALDH1A1 (0.43) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL985000 0.91 MEN1 (0.43) MAPTPARP1L3MBTL1MEN1KMT2A
SCHEMBL983123 0.90 PARP1 (0.45) MAPTPARP1L3MBTL1MEN1KMT2A
SCHEMBL981807 0.90 MDM4 (0.38) L3MBTL1MEN1KMT2ABTKLMNA
SCHEMBL985439 0.90 BTK (0.41) BTK
SCHEMBL985440 0.90 BTK (0.41) BTK
SCHEMBL981263 0.89 MDM4 (0.37) L3MBTL1MEN1KMT2ABTKALDH1A1
SCHEMBL981824 0.88 TP53 (0.43) MAPTPARP1L3MBTL1MEN1KMT2A
SCHEMBL983643 0.88 MDM4 (0.36) L3MBTL1MEN1KMT2AALDH1A1

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 MAPT 4701/4885PARP1 342/4885L3MBTL1 4346/4885

“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.