SCHEMBL9895598

SCHEMBL9895598

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.46
DGAT2 Q96PD7 2/20 0.42
PARP1 P09874 2/20 0.42
SCN9A Q15858 1/20 0.39
RIPK1 Q13546 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL9896609 0.96 HSD17B10 (0.41) USP30PARP1GPR119
SCHEMBL9897217 0.95 USP30 (0.44) USP30DGAT2PARP1SCN9ARIPK1
SCHEMBL9895498 0.92 USP30 (0.42) USP30PARP1
SCHEMBL9896776 0.91 CDK4 (0.39) USP30DGAT2SCN9AGPR119
SCHEMBL9895631 0.91 BRD4 (0.42) USP30PARP1GPR119
SCHEMBL9897783 0.91 OPRL1 (0.41) USP30
SCHEMBL9897942 0.91 HSD17B10 (0.38) USP30
SCHEMBL9898291 0.90 PIK3CD (0.38)
SCHEMBL16224143 0.90 USP30 (0.35) USP30DGAT2
SCHEMBL9896142 0.89 RBP4 (0.37) USP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A USP30 3041/4885DGAT2 4409/4885PARP1 255/4885

“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.