SCHEMBL1442010

SCHEMBL1442010

CCc1cc2c(O)nc(S)nc2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.31
ADORA2A P29274 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
BRD4 O60885 1/20 0.31
PARP1 P09874 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
SCHEMBL12819625 0.83 ADORA1 (0.33) ADORA1ADORA2AHCAR2BRD4PARP1
SCHEMBL10316629 0.79 ADORA1 (0.31) ADORA1ADORA2AHCAR2BRD4
SCHEMBL1442134 0.76 BTK (0.33) ADORA1ADORA2AHCAR2BRD4
SCHEMBL1442334 0.74 KCNH2 (0.32)
SCHEMBL18342027 0.72 PARP1 (0.35) HCAR2BRD4PARP1
SCHEMBL1443773 0.69 BRD4 (0.40) BRD4
SCHEMBL10316653 0.68 HRH4 (0.41)
SCHEMBL1442007 0.67 CCNK (0.37) PARP1
SCHEMBL1442184 0.66 PIK3CG (0.33) ADORA1ADORA2ABRD4PARP1
SCHEMBL19490574 0.64 PARP1 (0.47) ADORA1ADORA2ABRD4PARP1

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 12 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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
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-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 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
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 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
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 ADORA1 4164/4885ADORA2A 4802/4885HCAR2 2341/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADORA1 4164/4885ADORA2A 4802/4885HCAR2 2341/4885

“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.