SCHEMBL6314853

SCHEMBL6314853

ON(CCl)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.40
NOTUM Q6P988 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
KCNN4 O15554 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
APP P05067 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP2D6 P10635 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL25857471 0.76
SCHEMBL3409704 0.75 CYP2A6 (0.50) KCNA5CHRNB2CHRNA4HTTALDH1A1
SCHEMBL6325002 0.74 CHRM5 (0.42) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL4077802 0.72
SCHEMBL15758182 0.72
SCHEMBL1507818 0.72
SCHEMBL6328963 0.70 KCNA5 (0.53) KCNA5CHRNB2CHRNA4HTTALDH1A1
SCHEMBL16484704 0.70 KCNA5 (0.53) KCNA5CHRNB2CHRNA4HTTALDH1A1
SCHEMBL22928679 0.68
SCHEMBL2724548 0.68

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 KCNA5 2814/4885NOTUM 4254/4885CHRNB2 2428/4885

“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.