SCHEMBL10316629

SCHEMBL10316629

CCc1cc2c(O)nc(SSc3nc(O)c4cc(CC)[nH]c4n3)nc2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.31
ADORA2A P29274 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
BRD4 O60885 1/20 0.30
GPR84 Q9NQS5 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 0.81 ADORA1 (0.33) ADORA1ADORA2AHCAR2BRD4
SCHEMBL1442010 0.79 ADORA1 (0.31) ADORA1ADORA2AHCAR2BRD4
SCHEMBL1442007 0.77 CCNK (0.37)
SCHEMBL1442302 0.72 ENPP1 (0.31)
SCHEMBL18342027 0.71 PARP1 (0.35) HCAR2BRD4
SCHEMBL1441817 0.67 ADORA2A (0.36) ADORA1ADORA2ABRD4
SCHEMBL10316653 0.67 HRH4 (0.41) POLB
SCHEMBL1442184 0.65 PIK3CG (0.33) ADORA1ADORA2ABRD4
SCHEMBL1441939 0.64 HTT (0.49) ADORA1ADORA2A
SCHEMBL19490574 0.63 PARP1 (0.47) ADORA1ADORA2APOLBBRD4

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 7 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-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
EP-2475666-A2 GYRASE INHIBITORS Trius Therapeutics, Inc. (US) 2012-07-18 EP 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 4802/4885POLB 194/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ADORA1 4164/4885ADORA2A 4802/4885POLB 194/4885

“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.