SCHEMBL14820137

SCHEMBL14820137

CSc1nc2ncccc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 16/20 0.55
XDH P47989 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 1/20 0.45

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
SCHEMBL14805628 0.83 HCAR2 (0.55) HCAR2KMT2APARP1
SCHEMBL18487514 0.83 ALDH1A1 (0.54) HCAR2
SCHEMBL6014115 0.78 HCAR2 (0.59) HCAR2PARP1
SCHEMBL3826949 0.76 HPGD (0.59) KMT2A
SCHEMBL11794359 0.76 HCAR2 (0.61) HCAR2PARP1
SCHEMBL11781060 0.75 HCAR2 (0.59) HCAR2PARP1
SCHEMBL290313 0.75 MAOB (0.62) KMT2APARP1
SCHEMBL20954965 0.75 HCAR2 (0.59) HCAR2PARP1
SCHEMBL29831694 0.75 MAOB (0.62) KMT2APARP1
SCHEMBL10984818 0.75 HCAR2 (0.59) HCAR2PARP1

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-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

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 HCAR2 2341/4885XDH 137/4885KMT2A 2823/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B HCAR2 2341/4885XDH 137/4885KMT2A 2823/4885

“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.