SCHEMBL14730868

SCHEMBL14730868

O=S(=O)(c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1)c1nnc[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 12/20 0.72
KCNH2 Q12809 7/20 0.68
TGFBR1 P36897 2/20 0.68
GAK O14976 2/20 0.68
MAPK14 Q16539 2/20 0.68
LCK P06239 1/20 0.68
RIPK3 Q9Y572 1/20 0.68
CDK8 P49336 2/20 0.40
CCNC P24863 1/20 0.40
FADS1 O60427 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
ULK1 O75385 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
PKMYT1 Q99640 1/20 0.35
CLK2 P49760 1/20 0.35
ACVR1 Q04771 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL14730928 0.85 RIPK2 (0.70) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2595186 0.84 RIPK2 (0.73) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2589394 0.84 RIPK2 (0.73) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2595620 0.84 RIPK2 (1.00) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2592512 0.82 RIPK2 (0.84) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL31248455 0.81 RIPK2 (1.00) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2595069 0.81 RIPK2 (1.00) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2595766 0.81 RIPK2 (1.00) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL17059481 0.80 RIPK2 (0.58) RIPK2KCNH2TGFBR1GAKMAPK14
SCHEMBL2592842 0.80 RIPK2 (0.74) RIPK2KCNH2TGFBR1GAKMAPK14

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-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 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 (2 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-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885KCNH2 1159/4885TGFBR1 3359/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 RIPK2 326/4885KCNH2 1159/4885TGFBR1 3359/4885

“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.