SCHEMBL27095194

SCHEMBL27095194

Cc1nc(NC(C)[C@H]2CCCN2C)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 7/20 0.39
▸ CYP11B1 P15538 11/20 0.36
▸ CYP11B2 P19099 11/20 0.36
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL27095265 1.00 IDH1 (0.39) IDH1CYP11B1CYP11B2MAPK14
SCHEMBL30837959 0.83 CYP11B1 (0.39) IDH1CYP11B1CYP11B2
SCHEMBL27095185 0.83 CYP11B1 (0.39) IDH1CYP11B1CYP11B2
SCHEMBL27148103 0.83 CYP11B1 (0.39) IDH1CYP11B1CYP11B2
SCHEMBL30838068 0.80 MAPK1 (0.41) IDH1CYP11B1CYP11B2
SCHEMBL27095229 0.77 VNN1 (0.42) CYP11B1CYP11B2
Formic Acid SCHEMBL30838081 0.75 CHRM3 (0.41) CYP11B1CYP11B2
SCHEMBL24288094 0.74 CYP11B2 (0.41) CYP11B1CYP11B2MAPK14
Fumaric Acid SCHEMBL30838106 0.73 CHRM3 (0.42) CYP11B1CYP11B2MAPK14
SCHEMBL24288073 0.73 CYP11B1 (0.38) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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 (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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 IDH1 1145/4885CYP11B1 1707/4885CYP11B2 2028/4885

“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.

Send feedback