SCHEMBL19251148

SCHEMBL19251148

CC(C)c1cnc2c(c1)ncn2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 2/20 0.37
YTHDC1 Q96MU7 1/20 0.37
ADORA2A P29274 3/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KDM5B Q9UGL1 1/20 0.33
MAP3K12 Q12852 1/20 0.33
JAK1 P23458 2/20 0.33
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL22752699 0.82 HRH4 (0.31) HRH4HRH3KCNH2
SCHEMBL12457580 0.79 YTHDC1 (0.40) YTHDC1ADORA2AJAK1ALDH1A1ADORA3
SCHEMBL17914481 0.76 GRM5 (0.46) HRH4HRH3KCNH2YTHDC1ADORA2A
SCHEMBL18250329 0.76 GAA (0.47) KDM5BALDH1A1MEN1HPGDKMT2A
SCHEMBL12459139 0.75 YTHDC1 (0.37) KCNH2YTHDC1ADORA2AJAK1CYP2C9
SCHEMBL12524481 0.75 KCNH2 (0.37) HRH4HRH3KCNH2YTHDC1ADORA2A
SCHEMBL18211612 0.72 KDM5B (0.47) KDM5BIDO1ALDH1A1MEN1HPGD
SCHEMBL25786293 0.71 SRC (0.39) HRH4HRH3KCNH2ADORA2AALDH1A1
SCHEMBL18250252 0.71 GAA (0.51) ALDH1A1MEN1HPGDKMT2AHSD17B10
SCHEMBL18250272 0.71 GAA (0.55) ALDH1A1MEN1HPGDKMT2AHSD17B10

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-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

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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4775/4885HRH3 4651/4885KCNH2 4033/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B HRH4 4775/4885HRH3 4651/4885KCNH2 4033/4885

“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.