SCHEMBL30837945

SCHEMBL30837945

Cc1nc(NC2CCCCC2N(C)C)ncc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.43
▸ PTK2B Q14289 11/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GABBR2 O75899 3/20 0.38
▸ GABBR1 Q9UBS5 3/20 0.38
▸ CYP11B1 P15538 3/20 0.37
▸ CYP11B2 P19099 3/20 0.37

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
Formic Acid SCHEMBL30838032 0.95 PTK2 (0.40) PTK2PTK2BKCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838010 0.78 CYP11B2 (0.38) KCNH2GABBR2GABBR1CYP11B1CYP11B2
SCHEMBL27095195 0.78 TLR8 (0.40) KCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838057 0.77 CCNT1 (0.36) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838072 0.77 CCNT1 (0.36) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL30838075 0.77 TLR8 (0.39) KCNH2CYP11B1CYP11B2
SCHEMBL30838060 0.77 CYP11B1 (0.41) GABBR2GABBR1CYP11B1CYP11B2
SCHEMBL30838084 0.76 CYP11B1 (0.41) GABBR2GABBR1CYP11B1CYP11B2
SCHEMBL27142315 0.76 CHEK1 (0.38) GABBR2GABBR1CYP11B1CYP11B2
SCHEMBL27095188 0.76 CHEK1 (0.38) GABBR2GABBR1CYP11B1CYP11B2

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 PTK2 4434/4885PTK2B 3545/4885KCNH2 1032/4885

“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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