SCHEMBL9896609

SCHEMBL9896609

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 2/20 0.41
USP30 Q70CQ3 1/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
IDO1 P14902 1/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9895598 0.96 USP30 (0.46) PARP1USP30GPR119
SCHEMBL9895631 0.95 BRD4 (0.42) HSD17B10PARP1USP30BRD4MEN1
SCHEMBL9898041 0.92 ALDH1A1 (0.41) HSD17B10PARP1MEN1KMT2AGPR119
SCHEMBL9897217 0.91 USP30 (0.44) PARP1USP30BRD4
SCHEMBL16224112 0.91 SSTR5 (0.35) HSD17B10USP30BRD4MEN1KMT2A
SCHEMBL9896450 0.91 USP30 (0.40) PARP1USP30MEN1KMT2AGPR119
SCHEMBL9898029 0.90 OPRL1 (0.41) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL9896101 0.90 HSD17B10 (0.40) HSD17B10MEN1KMT2ALMNAMAPT
SCHEMBL9897496 0.90 EPHX2 (0.40) HSD17B10MEN1KMT2ALMNAL3MBTL1
SCHEMBL9896776 0.90 CDK4 (0.39) USP30GPR119LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 (2 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 HSD17B10 1588/4885PARP1 255/4885USP30 3041/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HSD17B10 2453/4885PARP1 630/4885USP30 3451/4885

“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.