SCHEMBL21025784

SCHEMBL21025784

CC(C)(C)c1ccc2ncn(C3CCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HCAR1 Q9BXC0 5/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 6/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
NPC1 O15118 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 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
SCHEMBL18731876 0.94 DRD2 (0.42) HSD17B10GAAHCAR1ATMALDH1A1
SCHEMBL15943817 0.87 DRD2 (0.46) GAAATMALDH1A1HPGDOPRM1
SCHEMBL16280661 0.87 HCAR1 (0.47) HSD17B10GAAHCAR1ATMALDH1A1
SCHEMBL18787932 0.87 PRKCI (0.50) HSD17B10GAAATMOPRM1OPRL1
SCHEMBL21391046 0.85 ALDH1A1 (0.50) HSD17B10GAAHCAR1ATMALDH1A1
SCHEMBL15943763 0.85 PRMT5 (0.39) GAAATMHPGDDRD2SLC6A4
SCHEMBL15943820 0.85 DRD2 (0.43) GAAALDH1A1OPRM1OPRL1DRD2
SCHEMBL19928107 0.84 PRKCI (0.48) ATMHPGDDRD2SLC6A4KMT2A
SCHEMBL15943782 0.84 LRRK2 (0.40) GAAATMHPGDDRD2SLC6A4
SCHEMBL21025778 0.83 GAA (0.47) HSD17B10GAAALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-07-05 US disclosed
US-9908887-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2018-03-06 US disclosed
US-9777008-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-04-27 US disclosed
US-20160214985-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-07-28 US disclosed
US-9388173-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-07-12 US disclosed
US-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-05-14 US disclosed
US-8906900-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2014-12-09 US disclosed
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-14 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 (6 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-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD17B10 2314/4885GAA 2270/4885HCAR1 3848/4885
US-20160214985-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD17B10 2378/4885GAA 2195/4885HCAR1 3789/4885
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD17B10 2314/4885GAA 2270/4885HCAR1 3848/4885
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD17B10 2314/4885GAA 2270/4885HCAR1 3848/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 HSD17B10 85/4885GAA 2/4885HCAR1 689/4885
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HSD17B10 2314/4885GAA 2270/4885HCAR1 3848/4885

“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.