SCHEMBL30838060

SCHEMBL30838060

Cc1nc(NC2CCCC(N)C2)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.41
▸ CYP11B2 P19099 7/20 0.41
▸ GABBR2 O75899 3/20 0.40
▸ GABBR1 Q9UBS5 3/20 0.40
▸ PTPN11 Q06124 4/20 0.39
▸ ULK1 O75385 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ CDK2 P24941 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
Hydrochloric Acid SCHEMBL30838012 0.99 CYP11B1 (0.41) CYP11B1CYP11B2GABBR2GABBR1PTPN11
SCHEMBL30838084 0.94 CYP11B1 (0.41) CYP11B1CYP11B2GABBR2GABBR1FLT3
Hydrochloric Acid SCHEMBL30838063 0.93 CYP11B1 (0.40) CYP11B1CYP11B2GABBR2GABBR1FLT3
SCHEMBL27095188 0.82 CHEK1 (0.38) CYP11B1CYP11B2GABBR2GABBR1CTSC
SCHEMBL27095187 0.82 CHEK1 (0.38) CYP11B1CYP11B2GABBR2GABBR1CTSC
SCHEMBL27142315 0.82 CHEK1 (0.38) CYP11B1CYP11B2GABBR2GABBR1CTSC
Hydrochloric Acid SCHEMBL30838016 0.82 IDH2 (0.50) CDK2CDK7CDK9
Hydrochloric Acid SCHEMBL30838002 0.82 IDH2 (0.50) CDK2CDK7CDK9
Hydrochloric Acid SCHEMBL30838041 0.81 CHEK1 (0.38) CYP11B1CYP11B2GABBR2GABBR1CTSC
Hydrochloric Acid SCHEMBL30838035 0.79 IDH2 (0.48) SYKCDK2CDK7CDK9

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 CYP11B1 1707/4885CYP11B2 2028/4885GABBR2 898/4885

“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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