SCHEMBL6336337

SCHEMBL6336337

NCCNc1nc(-c2ccc(F)cc2F)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ APP P05067 2/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.42
▸ NTRK1 P04629 3/20 0.41
▸ FERMT2 Q96AC1 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BCDIN3D Q7Z5W3 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40

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
SCHEMBL6328906 0.93 SCN9A (0.47) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL6330986 0.78 ALDH1A1 (0.73) SCN9AKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL6336714 0.77 KDM4E (0.71) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL5788700 0.76 TRIM58 (0.45) NTRK1
SCHEMBL5785783 0.76 ADORA2A (0.45) SCN9AGLAADORA2AADORA1ACHE
SCHEMBL4179234 0.75 MAPK14 (0.48) GLAADORA2AADORA1FERMT2BCDIN3D
SCHEMBL5787957 0.74 ADORA2A (0.48) KDM4EALDH1A1GLAADORA2AADORA1
SCHEMBL6329201 0.74 GAA (0.46) SCN9AKDM4EALDH1A1GLAGAA
SCHEMBL5785239 0.73 CHEK2 (0.47) SCN9AALDH1A1APPACHEMAPK14
SCHEMBL4179781 0.73 MAPK14 (0.58) FERMT2BCDIN3DMAPK14

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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — US claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 — — 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 SCN9A 801/4885KDM4E 1392/4885ALDH1A1 730/4885

“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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