SCHEMBL12459162

SCHEMBL12459162

CC(C)(C)c1ccc2nc3n(c(=O)c2c1)CCC3

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HSD17B10 Q99714 2/20 0.65
HPGD P15428 1/20 0.65
ACHE P22303 7/20 0.59
BCHE P06276 5/20 0.59
USP2 O75604 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP1A2 P05177 1/20 0.59
CFTR P13569 1/20 0.59
ALOX15 P16050 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
GOPC Q9HD26 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL12457528 0.82 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5509709 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5519389 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17221319 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL16330612 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19252750 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11085523 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22778774 0.76 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19068765 0.76 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17221667 0.76 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1KDM4EHSD17B10HPGD

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-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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 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 (5 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 SMN1; SMN2 3895/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B SMN1; SMN2 3995/4885ALDH1A1 1726/4885KDM4E 2335/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 3895/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B SMN1; SMN2 3895/4885ALDH1A1 1898/4885KDM4E 2371/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B SMN1; SMN2 3995/4885ALDH1A1 1726/4885KDM4E 2335/4885

“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.