SCHEMBL984752

SCHEMBL984752

COc1cc(-c2ncnc3c(C(=O)NC4CCCN(C(=O)OC(C)(C)C)C4)c[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.48
USP30 Q70CQ3 3/20 0.43
PARP1 P09874 2/20 0.41
PBK Q96KB5 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RIPK1 Q13546 2/20 0.37
ANO1 Q5XXA6 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GABRA5 P31644 1/20 0.35
BTK Q06187 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PIK3CD O00329 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL984750 1.00 SCN9A (0.48) SCN9AUSP30PARP1PBKHDAC4
SCHEMBL985086 0.97 SCN9A (0.46) SCN9AUSP30PARP1PBKHDAC4
SCHEMBL985727 0.97 SCN9A (0.46) SCN9AUSP30PARP1PBKHDAC4
SCHEMBL985085 0.97 SCN9A (0.46) SCN9AUSP30PARP1PBKHDAC4
SCHEMBL984128 0.96 USP30 (0.47) SCN9AUSP30PARP1RIPK1BTK
SCHEMBL984125 0.96 USP30 (0.47) SCN9AUSP30PARP1RIPK1BTK
SCHEMBL986209 0.93 USP30 (0.47) SCN9AUSP30PARP1RIPK1BTK
SCHEMBL986210 0.93 USP30 (0.47) SCN9AUSP30PARP1RIPK1BTK
SCHEMBL984571 0.92 SCN9A (0.42) SCN9AUSP30PARP1BTK
SCHEMBL982924 0.91 MDM4 (0.36) SCN9ABTK

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 SCN9A 893/4885USP30 2837/4885PARP1 342/4885

“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.