SCHEMBL24571337

SCHEMBL24571337

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc2cc(-c3ccccn3)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.45
▸ TRPV1 Q8NER1 2/20 0.44
▸ NTRK1 P04629 2/20 0.42
▸ SCN5A Q14524 2/20 0.41
▸ HPGDS O60760 1/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.39

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
SCHEMBL22659319 0.91 HPGDS (0.42) NTRK1SCN5AHPGDSORAI1STIM1
SCHEMBL29405919 0.91 HPGDS (0.42) NTRK1SCN5AHPGDSORAI1STIM1
SCHEMBL29406420 0.89 NTRK1 (0.47) NTRK1HPGDSORAI1STIM1
SCHEMBL24571213 0.89 NTRK1 (0.47) NTRK1HPGDSORAI1STIM1
SCHEMBL22659855 0.88 BRAF (0.42) NTRK1HPGDSORAI1STIM1
SCHEMBL22659819 0.87 MCHR1 (0.41) TRPV1NTRK1HPGDSORAI1STIM1
SCHEMBL22659859 0.87 NTRK1 (0.42) NTRK1HPGDSORAI1STIM1
SCHEMBL29405116 0.87 NTRK1 (0.42) NTRK1HPGDSORAI1STIM1
SCHEMBL22659086 0.87 NTRK1 (0.50) NTRK1HPGDS
SCHEMBL24571216 0.86 KCNT1 (0.46) NTRK1SCN5AHPGDSORAI1STIM1

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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — 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-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 SCN9A 4817/4885TRPV1 336/4885NTRK1 2504/4885

“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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