SCHEMBL984012

SCHEMBL984012

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c[nH]c23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
SCN9A Q15858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
PARP1 P09874 2/20 0.39
BRD4 O60885 1/20 0.39
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL984571 0.97 SCN9A (0.42) USP30SCN9AL3MBTL1GPR119PARP1
SCHEMBL986210 0.96 USP30 (0.47) USP30SCN9AGPR119PARP1BTK
SCHEMBL986209 0.96 USP30 (0.47) USP30SCN9AGPR119PARP1BTK
SCHEMBL982011 0.94 SCN9A (0.40) USP30SCN9AL3MBTL1GPR119PARP1
SCHEMBL984128 0.93 USP30 (0.47) USP30SCN9AGPR119PARP1BTK
SCHEMBL984125 0.93 USP30 (0.47) USP30SCN9AGPR119PARP1BTK
SCHEMBL985085 0.92 SCN9A (0.46) USP30SCN9APARP1BTK
SCHEMBL985086 0.92 SCN9A (0.46) USP30SCN9APARP1BTK
SCHEMBL985727 0.92 SCN9A (0.46) USP30SCN9APARP1BTK
SCHEMBL982064 0.91 MAP3K5 (0.37) BTKMEN1KMT2AKDM4E

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 USP30 2837/4885SCN9A 893/4885L3MBTL1 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.