SCHEMBL1441817

SCHEMBL1441817

CCOc1nc(SC)nc2[nH]c(CC)cc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
BTK Q06187 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.30
BRD4 O60885 1/20 0.30
THRB P10828 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
SCHEMBL1442134 0.79 BTK (0.33) ADORA2AKMT2AMEN1BTKADORA1
SCHEMBL1443295 0.78 BTK (0.33) ADORA2AL3MBTL1KMT2AALDH1A1BTK
SCHEMBL1441720 0.78 HTT (0.34) ADORA2AADORA3L3MBTL1KMT2AMEN1
SCHEMBL7016051 0.74 LRRK2 (0.42) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1443181 0.72 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL1443035 0.69 TSHR (0.39) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL18471650 0.68 MEN1 (0.31) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL10316629 0.67 ADORA1 (0.31) ADORA2AADORA1BRD4
SCHEMBL7019238 0.66 L3MBTL1 (0.40) ADORA2AADORA3L3MBTL1KMT2AMEN1
SCHEMBL14180415 0.63 KMT2A (0.51) ADORA2AADORA3L3MBTL1KMT2AMEN1

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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
EP-2475666-A2 GYRASE INHIBITORS Trius Therapeutics, Inc. (US) 2012-07-18 EP disclosed
WO-2011032050-A2 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2011-03-17 WO 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADORA2A 4802/4885ADORA3 3436/4885L3MBTL1 1004/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADORA2A 4802/4885ADORA3 3436/4885L3MBTL1 1004/4885

“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.