SCHEMBL30838068

SCHEMBL30838068

Cc1nc(N[C@H](C)[C@H]2CCCN2)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ CYP11B1 P15538 12/20 0.39
▸ CYP11B2 P19099 12/20 0.39
▸ IDH1 O75874 4/20 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
SCHEMBL27095265 0.80 IDH1 (0.39) CYP11B1CYP11B2IDH1
SCHEMBL27095194 0.80 IDH1 (0.39) CYP11B1CYP11B2IDH1
Hydrochloric Acid SCHEMBL30838036 0.77 IDO1 (0.43) MAPK1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838016 0.76 IDH2 (0.50) —
Hydrochloric Acid SCHEMBL30838002 0.76 IDH2 (0.50) —
SCHEMBL24288094 0.74 CYP11B2 (0.41) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838043 0.74 CHEK1 (0.42) —
Hydrochloric Acid SCHEMBL30838067 0.74 CHEK1 (0.42) —
SCHEMBL27095185 0.74 CYP11B1 (0.39) CYP11B1CYP11B2IDH1
SCHEMBL27148103 0.74 CYP11B1 (0.39) CYP11B1CYP11B2IDH1

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 MAPK1 3497/4885CYP11B1 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.

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