SCHEMBL24809758

SCHEMBL24809758

COc1nc(C(C)(C)C)cn1C(=O)NC1CCCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
WHR1 P49842 2/20 0.35
JAK3 P52333 1/20 0.33
IDH1 O75874 3/20 0.32
LRRK2 Q5S007 1/20 0.32
CFD P00746 1/20 0.31
HCRTR2 O43614 1/20 0.31
ABCB1 P08183 1/20 0.31
KDM1A O60341 1/20 0.31
IDH2 P48735 1/20 0.31
CETP P11597 1/20 0.31
CNR1 P21554 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR2 P34972 1/20 0.30
HCRTR1 O43613 1/20 0.30
MAPT P10636 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
SCHEMBL24810582 0.88 CNR1 (0.39) WHR1IDH1LRRK2ABCB1KDM1A
SCHEMBL24811091 0.86 MAPK8 (0.38) MAPK8WHR1JAK3CFDHCRTR2
SCHEMBL24810574 0.84 ALDH1A1 (0.41) CNR1ALDH1A1CNR2MAPT
SCHEMBL24810656 0.83 HPGDS (0.36) ALDH1A1MAPT
SCHEMBL24809752 0.81 HCRTR2 (0.37) MAPK8HCRTR2CETPALDH1A1MAPT
SCHEMBL24809418 0.78 CNR2 (0.41) KDM1ACNR2
SCHEMBL24810591 0.73 EPHX2 (0.39) IDH1LRRK2ABCB1KDM1ACNR1
SCHEMBL24810575 0.70
SCHEMBL24809346 0.68 ASAH1 (0.38) ALDH1A1MAPT
SCHEMBL24809411 0.67 CHRM4 (0.40) CNR1ALDH1A1MAPT

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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN 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 (1 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-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 MAPK8 3847/4885WHR1 4586/4885JAK3 1802/4885

“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.