SCHEMBL14995680

SCHEMBL14995680

C#CCNS(=O)(=O)c1ccc(Nc2nc(N)nc(-c3ccc(S(N)(=O)=O)cc3)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.45
▸ ENPP3 O14638 4/20 0.45
▸ CA9 Q16790 11/20 0.44
▸ CA1 P00915 11/20 0.44
▸ CA12 O43570 6/20 0.44
▸ CHUK O15111 3/20 0.41
▸ CA4 P22748 3/20 0.41
▸ CA6 P23280 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA13 Q8N1Q1 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ IKBKB O14920 3/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA3 P07451 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
SCHEMBL14995679 0.85 CA2 (0.39) CA2ENPP3CA9CA1CA12
SCHEMBL1474323 0.78 CA2 (0.62) CA2CA9CA1CA12CA4
SCHEMBL14995676 0.77 CA2 (0.51) CA2ENPP3CA9CA1CA12
SCHEMBL5117367 0.73 CA2 (0.40) CA2ENPP3CA9CA1CA12
SCHEMBL1476189 0.71 JAK3 (0.57) CA2
SCHEMBL1474777 0.71 AURKA (0.56) CA2
SCHEMBL1474284 0.69 AURKA (0.61) CA2
SCHEMBL15651718 0.68 CA1 (0.61) CA2CA9CA1CA12CA4
SCHEMBL4970405 0.67 CA2 (0.59) CA2
Ammonia Solution, Strong SCHEMBL1890157 0.66 CDK2 (0.42) CA2

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-8815848-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-08-26 — — US disclosed
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-06-06 — — 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-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA2 4491/4885ENPP3 1382/4885CA9 4302/4885

“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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