SCHEMBL14634106

SCHEMBL14634106

Cc1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)cc1S(=O)(=O)C(C)(C)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 3/20 0.45
▸ GAK O14976 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ RIPK3 Q9Y572 1/20 0.45
▸ BTK Q06187 3/20 0.41
▸ KDR P35968 4/20 0.41
▸ LYN P07948 2/20 0.41
▸ TXK P42681 2/20 0.41
▸ SYK P43405 2/20 0.41
▸ GSK3B P49841 3/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ AURKA O14965 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL2437220 0.87 BTK (0.54) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL14634174 0.87 RIPK2 (0.49) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL2432134 0.87 RIPK2 (0.49) RIPK2GAKLCKTGFBR1KCNH2
Trifluoroacetic Acid SCHEMBL14634177 0.85 RIPK2 (0.44) RIPK2GAKLCKTGFBR1KCNH2
Hydrochloric Acid SCHEMBL14635259 0.83 BTK (0.43) RIPK2KCNH2BTKKDRLYN
Trifluoroacetic Acid SCHEMBL14633839 0.83 RIPK2 (0.46) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL14633514 0.82 RIPK2 (0.41) RIPK2GAKLCKTGFBR1KCNH2
Trifluoroacetic Acid SCHEMBL14634188 0.79 GRM4 (0.49) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL14633624 0.78 RIPK2 (0.60) RIPK2GAKLCKTGFBR1KCNH2
SCHEMBL14634221 0.78 RIPK2 (0.49) RIPK2GAKLCKTGFBR1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 — — 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 RIPK2 443/4885GAK 237/4885LCK 127/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 RIPK2 432/4885GAK 85/4885LCK 129/4885

“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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