SCHEMBL12893522

SCHEMBL12893522

BC(=O)N1CCN(Cc2ccnc(NB(C)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.46
▸ FAAH O00519 3/20 0.42
▸ TBK1 Q9UHD2 11/20 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
SCHEMBL13600348 0.83 GPR183 (0.53) KDRFAAHTBK1
SCHEMBL13003255 0.81 ACKR3 (0.46) KDR
SCHEMBL13319465 0.81 ACKR3 (0.46) KDRTBK1
SCHEMBL12409942 0.78 KDR (0.42) KDRTBK1
SCHEMBL13003995 0.78 KDR (0.36) KDR
SCHEMBL12409965 0.76 KDR (0.36) KDRTBK1
SCHEMBL13003253 0.71 GSK3B (0.45) TBK1
SCHEMBL13003443 0.71 RECQL (0.46) —
SCHEMBL14007697 0.71 PKM (0.46) —
SCHEMBL13003276 0.70 ACKR3 (0.44) TBK1

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-7879880-B2 such as [4-[(2-aminopyridin-4-yl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylamino)phenyl]methanone, used for the treatment of inflammatory diseases, allergic conditions, diabetes, obesity, metabolic syndrome, cognition disorder, cardiovascular and nervous system disorders SCHERING CORPORATION (US) 2011-02-01 — — US disclosed
US-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists SCHERING CORPORATION 2007-06-21 — — 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-20070142394-A1 Substituted aniline derivatives useful as histamine H3 antagonists HRH3, CHRM2, HCRTR2 KDR 3611/4885FAAH 283/4885TBK1 4533/4885

“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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