SCHEMBL30824157

SCHEMBL30824157

CCOC(=O)c1cc(C(F)(F)F)ncc1Nc1ccc(F)c(F)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNQ4 P56696 1/20 0.39
▸ KCNQ5 Q9NR82 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ JMJD6 Q6NYC1 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SYK P43405 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRAF P15056 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
SCHEMBL24550099 1.00 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5EGFR
SCHEMBL24550793 0.87 DHODH (0.41) KDM4EMAP2K2MAP2K1SCN10ASYK
SCHEMBL30824177 0.87 DHODH (0.41) KDM4EMAP2K2MAP2K1SCN10ASYK
SCHEMBL24550073 0.81 DHODH (0.37) KCNQ3KCNQ2KCNQ4KCNQ5SCN10A
SCHEMBL30824154 0.80 DHODH (0.37) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL24552895 0.80 DHODH (0.37) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL30660386 0.78 ACVR1B (0.38) EGFR
SCHEMBL26944617 0.78 ACVR1B (0.38) EGFR
SCHEMBL24550624 0.76 DHODH (0.47) MAP2K2MAP2K1
SCHEMBL26931044 0.75 ACVR1B (0.39) EGFRSYK

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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 — — 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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A KCNQ3 30/4885KCNQ2 22/4885KCNQ4 41/4885

“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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