SCHEMBL12458294

SCHEMBL12458294

Cc1ncc(OC(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ABL1 P00519 1/20 0.30
▸ RIPK1 Q13546 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
SCHEMBL19252812 0.81 SCN10A (0.33) —
SCHEMBL22778719 0.81 — —
SCHEMBL3822740 0.80 GAA (0.48) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL25353502 0.78 GAA (0.42) GAA
SCHEMBL12458486 0.78 NUDT1 (0.36) GAAKMT2AKDM4EABL1
SCHEMBL14805637 0.78 GAA (0.34) GAAABL1
SCHEMBL12777855 0.78 GABBR2 (0.39) MEN1KMT2A
SCHEMBL22752309 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22752379 0.78 — —
SCHEMBL13019890 0.75 KMT2A (0.40) KMT2AABL1RIPK1

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 — — 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 (7 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B GAA 85/4885MEN1 3398/4885KMT2A 3095/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B GAA 1078/4885MEN1 4082/4885KMT2A 2823/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B GAA 82/4885MEN1 3481/4885KMT2A 3484/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B GAA 85/4885MEN1 3398/4885KMT2A 3095/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B GAA 1078/4885MEN1 4082/4885KMT2A 2823/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B GAA 85/4885MEN1 3398/4885KMT2A 3095/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B GAA 82/4885MEN1 3481/4885KMT2A 3484/4885

“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.

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