SCHEMBL12458486

SCHEMBL12458486

CC(C)(C)Oc1cnc(N)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 7/20 0.36
▸ GAA P10253 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ALOX5AP P20292 4/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 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
SCHEMBL3822740 0.78 GAA (0.48) GAAABL1KMT2AKDM4E
SCHEMBL12458294 0.78 GAA (0.39) GAAABL1KMT2AKDM4E
SCHEMBL25353502 0.76 GAA (0.42) GAA
SCHEMBL20886078 0.76 ABL1 (0.40) GAAKCNH2ABL1ALOX5APFEN1
SCHEMBL14805637 0.76 GAA (0.34) GAAABL1
SCHEMBL17471316 0.76 NOS3 (0.45) ALOX5APFEN1KDM4EPOLBRAB9A
SCHEMBL19251577 0.73 PKM (0.36) NUDT1KDM4ERAB9ALMNAMAPT
SCHEMBL14805786 0.73 GAA (0.30) GAA
SCHEMBL18484544 0.73 MAPK8 (0.35) GAAABL1ALOX5APFEN1KMT2A
SCHEMBL504264 0.72 — —

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-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-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 NUDT1 463/4885GAA 85/4885KCNH2 4033/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NUDT1 537/4885GAA 1078/4885KCNH2 2571/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B NUDT1 379/4885GAA 82/4885KCNH2 3983/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B NUDT1 463/4885GAA 85/4885KCNH2 4033/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B NUDT1 537/4885GAA 1078/4885KCNH2 2571/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B NUDT1 463/4885GAA 85/4885KCNH2 4033/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B NUDT1 379/4885GAA 82/4885KCNH2 3983/4885

“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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