SCHEMBL986209

SCHEMBL986209

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@@H]4CCN(C(=O)OC(C)(C)C)C4)c[nH]c23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.47
SCN9A Q15858 2/20 0.42
RIPK1 Q13546 2/20 0.40
PARP1 P09874 2/20 0.40
BTK Q06187 1/20 0.39
DGAT2 Q96PD7 2/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MDM4 O15151 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
SCHEMBL986210 1.00 USP30 (0.47) USP30SCN9ARIPK1PARP1BTK
SCHEMBL984128 0.97 USP30 (0.47) USP30SCN9ARIPK1PARP1BTK
SCHEMBL984125 0.97 USP30 (0.47) USP30SCN9ARIPK1PARP1BTK
SCHEMBL985086 0.96 SCN9A (0.46) USP30SCN9ARIPK1PARP1BTK
SCHEMBL985727 0.96 SCN9A (0.46) USP30SCN9ARIPK1PARP1BTK
SCHEMBL985085 0.96 SCN9A (0.46) USP30SCN9ARIPK1PARP1BTK
SCHEMBL984012 0.96 USP30 (0.41) USP30SCN9APARP1BTKGPR119
SCHEMBL984750 0.93 SCN9A (0.48) USP30SCN9ARIPK1PARP1BTK
SCHEMBL984752 0.93 SCN9A (0.48) USP30SCN9ARIPK1PARP1BTK
SCHEMBL984571 0.93 SCN9A (0.42) USP30SCN9APARP1BTKGPR119

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 893/4885RIPK1 4501/4885

“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.