SCHEMBL981824

SCHEMBL981824

CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
USP30 Q70CQ3 1/20 0.43
BRD4 O60885 1/20 0.42
LMNA P02545 2/20 0.42
PARP1 P09874 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
IDO1 P14902 1/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 0.95 BRD4 (0.43) TP53USP30BRD4LMNAPARP1
SCHEMBL983123 0.92 PARP1 (0.45) USP30LMNAPARP1L3MBTL1THRB
SCHEMBL982023 0.91 ALDH1A1 (0.41) USP30LMNAPARP1L3MBTL1GPR119
SCHEMBL986300 0.90 CDK9 (0.39) MEN1KMT2A
SCHEMBL983676 0.90 BTK (0.40) BRD4PARP1BTKALDH1A1KMT2A
SCHEMBL985408 0.90 BTK (0.40) BRD4PARP1BTKALDH1A1KMT2A
SCHEMBL983677 0.90 BTK (0.40) BRD4PARP1BTKALDH1A1KMT2A
SCHEMBL984012 0.89 USP30 (0.41) TP53USP30BRD4LMNAPARP1
SCHEMBL984571 0.89 SCN9A (0.42) TP53USP30BRD4LMNAPARP1
SCHEMBL984240 0.89 EPHX2 (0.40) MEN1KMT2A

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 TP53 3683/4885USP30 2837/4885BRD4 1299/4885

“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.