SCHEMBL23959345

SCHEMBL23959345

CC(C)Cc1ccc2cnoc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 2/20 0.31
TSHR P16473 1/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DCLK1 O15075 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
NTRK1 P04629 1/20 0.31
CDK1 P06493 1/20 0.31
RET P07949 1/20 0.31
ROS1 P08922 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
SCHEMBL24006183 0.73 HTR1B (0.38) PDE10ANOS3NOS1NOS2MAPK1
SCHEMBL19131846 0.72 KDM4E (0.30) KDM4EALDH1A1HPGD
SCHEMBL18199915 0.70 CCR1 (0.50) PDE10ANOS3NOS1NOS2MAPK1
SCHEMBL14643801 0.69 CCR1 (0.42) NOS1NOS2KDM4EALDH1A1HPGD
SCHEMBL8253214 0.67 HTR1B (0.40) S1PR1S1PR3
SCHEMBL14417039 0.66 NPSR1 (0.35) NOS3NOS1NOS2MAPK1TSHR
SCHEMBL3625374 0.65 GABRA1 (0.44) NOS3NOS1NOS2KDM4EHPGD
SCHEMBL15490954 0.65 PDE10A (0.50) PDE10ANOS3NOS1NOS2MAPK1
SCHEMBL14983822 0.64 GABRA1 (0.46) ELANE
SCHEMBL5690187 0.64 CYP1A2 (0.57) PDE10AELANE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 PDE10A 3002/4885NOS3 381/4885NOS1 246/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 PDE10A 2274/4885NOS3 671/4885NOS1 490/4885

“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.