SCHEMBL104840

SCHEMBL104840

CC(C)NC1CCCC(F)(F)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL25589867 0.94 GAA (0.32)
SCHEMBL22016513 0.89 EPHX2 (0.36) DRD2DRD3
SCHEMBL22017351 0.89 EPHX2 (0.36) DRD2DRD3
SCHEMBL22031954 0.89 EPHX2 (0.36) DRD2DRD3
SCHEMBL25589561 0.83
SCHEMBL18925570 0.80 MAPK8 (0.32) MAPK8
SCHEMBL25865746 0.80 MAPK8 (0.32) MAPK8
SCHEMBL9964559 0.79 APLNR (0.31) DRD2DRD3
Hydrochloric Acid SCHEMBL17311101 0.78 MAPK8 (0.31) MAPK8
SCHEMBL22430868 0.77

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-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
WO-2021219828-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2021-11-04 WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 MAPK8 535/4885DRD2 3469/4885DRD3 2621/4885
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 MAPK8 504/4885DRD2 4691/4885DRD3 4678/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 MAPK8 498/4885DRD2 1235/4885DRD3 996/4885

“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.