SCHEMBL17813552

SCHEMBL17813552

Cc1cnc2sc(=O)n(C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 3/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL19153096 0.73 PIK3CD (0.32) CYP3A4MAPK1
SCHEMBL17813550 0.69 HSD17B10 (0.33) HSD17B10CYP1A2KMT2AALDH1A1USP2
SCHEMBL17813546 0.68 KAT2B (0.37) HSD17B10HPGDHTTKMT2A
SCHEMBL17813551 0.68 TKT (0.32) HSD17B10HPGDCYP1A2KMT2AALDH1A1
SCHEMBL17813502 0.67 CYP1A2 (0.44) HSD17B10HPGDHTTCYP1A2KMT2A
SCHEMBL17813477 0.66 CYP1A2 (0.46) HSD17B10HPGDCYP1A2KMT2AALDH1A1
SCHEMBL5448218 0.66 ALDH1A1 (0.53) HSD17B10HPGDHTTKMT2AALDH1A1
SCHEMBL5445042 0.64 KDM4E (0.56) HSD17B10HPGDHTTKMT2AALDH1A1
SCHEMBL17813483 0.64 LMNA (0.45) HPGDCYP1A2KMT2AALDH1A1MEN1
SCHEMBL17813547 0.64 HSD17B10 (0.35) HSD17B10HPGDHTTCYP1A2KMT2A

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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2464/4885HPGD 3222/4885HTT 1647/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2464/4885HPGD 3222/4885HTT 1647/4885

“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.