SCHEMBL10316635

SCHEMBL10316635

CCC1Cc2c(O)nc(Sc3cccnc3)nc2N1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
TYMS P04818 1/20 0.31

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
SCHEMBL1442007 0.67 CCNK (0.37) NOS3NOS1NOS2TYMS
SCHEMBL18484200 0.64 NUDT1 (0.43) TYMS
SCHEMBL9548473 0.60 CYP2A6 (0.50) NOS1TYMS
SCHEMBL16056837 0.60 CYP2A6 (0.43) NOS3NOS1NOS2TYMS
SCHEMBL11111047 0.57 NR1H2 (0.56) NOS1
SCHEMBL27563196 0.57 ADORA2B (0.35) TYMS
SCHEMBL9036434 0.57
SCHEMBL8152934 0.56 DUSP10 (0.39) NOS3NOS1NOS2TYMS
SCHEMBL11479924 0.56 DDAH1 (0.46) NOS1
SCHEMBL30849345 0.56 DDAH1 (0.46) NOS1

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 4 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

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 NOS3 894/4885NOS1 1263/4885NOS2 1694/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NOS3 894/4885NOS1 1263/4885NOS2 1694/4885

“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.