SCHEMBL27095187

SCHEMBL27095187

Cc1nc(NC2CC3CCC(C2)N3)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.38
▸ CYP11B2 P19099 10/20 0.37
▸ CYP11B1 P15538 9/20 0.37
▸ GABBR2 O75899 3/20 0.37
▸ GABBR1 Q9UBS5 3/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SCN9A Q15858 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL27142315 1.00 CHEK1 (0.38) CHEK1CYP11B2CYP11B1GABBR2GABBR1
SCHEMBL27095188 1.00 CHEK1 (0.38) CHEK1CYP11B2CYP11B1GABBR2GABBR1
Hydrochloric Acid SCHEMBL30838041 0.99 CHEK1 (0.38) CHEK1CYP11B2CYP11B1GABBR2GABBR1
SCHEMBL30838084 0.84 CYP11B1 (0.41) CYP11B2CYP11B1GABBR2GABBR1FLT3
Hydrochloric Acid SCHEMBL30838063 0.83 CYP11B1 (0.40) CYP11B2CYP11B1GABBR2GABBR1FLT3
Hydrochloric Acid SCHEMBL30838035 0.83 IDH2 (0.48) CHEK1MAPK1
SCHEMBL30838060 0.82 CYP11B1 (0.41) CYP11B2CYP11B1GABBR2GABBR1CTSC
Hydrochloric Acid SCHEMBL30838016 0.81 IDH2 (0.50) —
Hydrochloric Acid SCHEMBL30838012 0.81 CYP11B1 (0.41) CYP11B2CYP11B1GABBR2GABBR1CTSC
Hydrochloric Acid SCHEMBL30838002 0.81 IDH2 (0.50) —

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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — US claimed
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 CHEK1 1012/4885CYP11B2 2028/4885CYP11B1 1707/4885

“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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