SCHEMBL14995679

SCHEMBL14995679

C#CCNS(=O)(=O)c1ccc(Nc2nc(N)nc(-c3ccccc3S(N)(=O)=O)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.39
▸ MAPT P10636 5/20 0.37
▸ KDR P35968 1/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CHUK O15111 1/20 0.35
▸ ENPP3 O14638 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA6 P23280 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA13 Q8N1Q1 2/20 0.34

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
SCHEMBL14995680 0.85 CA2 (0.45) CA2MAPTCA9CA12CA1
SCHEMBL1474323 0.71 CA2 (0.62) CA2KDRCA9CA12CA1
SCHEMBL1474284 0.70 AURKA (0.61) CA2KDRSRCAURKAAURKB
SCHEMBL1476189 0.68 JAK3 (0.57) CA2KDRSRCAURKAAURKB
SCHEMBL1474777 0.66 AURKA (0.56) CA2KDRSRCAURKAAURKB
SCHEMBL15651718 0.66 CA1 (0.61) CA2CA9CA12CA1ALDH1A1
SCHEMBL1186811 0.63 KDR (0.67) KDRAURKB
SCHEMBL28778517 0.63 JAK1 (0.47) KDM4EMEN1KMT2ATP53
SCHEMBL4817325 0.63 ALDH1A1 (0.59) CA2CA9CA1MEN1ALDH1A1
SCHEMBL1501830 0.63 ALDH1A1 (0.55) CA2CA9CA12CA1KDM4E

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 4491/4885MAPT 4098/4885KDR 1892/4885

“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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