SCHEMBL14995676

SCHEMBL14995676

Nc1nc(Nc2ccc(CCCO)cc2)c(F)c(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ CA1 P00915 10/20 0.45
▸ CA9 Q16790 10/20 0.45
▸ CA12 O43570 8/20 0.45
▸ CA14 Q9ULX7 5/20 0.44
▸ CA4 P22748 4/20 0.44
▸ CA6 P23280 4/20 0.44
▸ CA7 P43166 4/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA3 P07451 2/20 0.44
▸ CA13 Q8N1Q1 2/20 0.42
▸ CA5B Q9Y2D0 1/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ CHUK O15111 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 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
SCHEMBL5029661 0.85 ENPP3 (0.47) CA2CDK1KDRCA1CA9
SCHEMBL14995675 0.82 STAT6 (0.39) CA2CDK1KDRCA1CA9
SCHEMBL5117367 0.80 CA2 (0.40) CA2CDK1KDRCA1CA9
SCHEMBL4001420 0.77 AURKA (0.59) CA2CDK1KDRCA1CA9
SCHEMBL14995680 0.77 CA2 (0.45) CA2CA1CA9CA12CA14
SCHEMBL28246733 0.75 CDK1 (0.60) CA2CDK1KDRCA1CA9
SCHEMBL3997330 0.74 AURKA (0.58) CA2CDK1KDRCA1CA9
SCHEMBL28865417 0.72 CDK1 (0.59) CA2CDK1KDRCA1CA9
SCHEMBL1805395 0.71 CA2 (1.00) CA2CA1CA9CA12CA14
Ammonia Solution, Strong SCHEMBL5014629 0.70 CDK2 (0.58) CA2CDK1KDRCA1CA9

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-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 4491/4885CDK1 191/4885KDR 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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