SCHEMBL22360676

SCHEMBL22360676

CC(C)C(C)c1cnn2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
EPHB3 P54753 4/20 0.40
DYRK1A Q13627 1/20 0.39
MAP4K4 O95819 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL6842161 0.85 DRD4 (0.43) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL6608758 0.84 DRD4 (0.42) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL3793299 0.82 DRD4 (0.41) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL6748363 0.82 DRD4 (0.41) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL23075880 0.82 DRD4 (0.41) DRD4DRD3EPHB3DYRK1AMAP4K4
Hydrochloric Acid SCHEMBL3795000 0.81 DRD4 (0.40) DRD4DRD3EPHB3DYRK1AMAP4K4
Hydrochloric Acid SCHEMBL3703425 0.81 DRD4 (0.40) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL22932522 0.79 DRD4 (0.39) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL19115073 0.79 DRD3 (0.42) DRD4DRD3EPHB3DYRK1AMAP4K4
SCHEMBL1290770 0.79 DRD4 (0.39) DRD4DRD3EPHB3DYRK1AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES SPECTRUM PHARMACEUTICALS, INC. 2020-08-20 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 (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-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES ERBB2, EGFR, ERBB3 DRD4 4813/4885DRD3 4622/4885EPHB3 383/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP DRD4 1861/4885DRD3 1018/4885EPHB3 3524/4885

“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.