SCHEMBL5367209

SCHEMBL5367209

Cn1nnc(-c2c(F)cccc2-c2cc(Cl)cnc2C#N)n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.43
TYK2 P29597 2/20 0.36

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
SCHEMBL5360555 0.86 BDKRB1 (0.47) BDKRB1
SCHEMBL5362616 0.79 BDKRB1 (0.44) BDKRB1
Ammonia Solution, Strong SCHEMBL27624658 0.75 BDKRB1 (0.45) BDKRB1
SCHEMBL5360427 0.72 BDKRB1 (0.48) BDKRB1
SCHEMBL13846198 0.71 NPC1 (0.48) BDKRB1
SCHEMBL5363373 0.70 BDKRB1 (0.40) BDKRB1
SCHEMBL26200165 0.69 EPHX2 (0.46) TYK2
SCHEMBL13363264 0.66 NPC1 (0.43) BDKRB1
SCHEMBL5374210 0.66 NPC1 (0.43) BDKRB1
SCHEMBL25377588 0.65 EPHX2 (0.37) BDKRB1TYK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163951-B2 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2007-01-16 US disclosed
US-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. 2005-12-29 US disclosed
EP-1545538-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004019868-A2 N-BIARYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 2004-03-11 WO 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-20050288305-A1 N-biarylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885TYK2 1820/4885

“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.