SCHEMBL14650714

SCHEMBL14650714

Cc1ccc(Nc2nccc(Nc3n[nH]c(C)c3C)n2)cc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.48
▸ ABCB11 O95342 1/20 0.44
▸ KDR P35968 5/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ EPHB4 P54760 2/20 0.42
▸ LYN P07948 2/20 0.42
▸ TXK P42681 2/20 0.42
▸ SYK P43405 2/20 0.42
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ CLK4 Q9HAZ1 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
SCHEMBL14634664 0.93 BTK (0.57) BTKABCB11KDRBRD4LYN
SCHEMBL14650748 0.90 GRM4 (0.53) BTKKDRBRD4EPHB4AURKA
SCHEMBL14650318 0.90 AURKA (0.47) BTKKDRBRD4EPHB4AURKA
SCHEMBL14650715 0.87 BTK (0.44) BTKKDRBRD4LYNTXK
SCHEMBL14650511 0.86 BTK (0.43) BTKKDRBRD4EPHB4LYN
SCHEMBL2512099 0.86 BTK (0.50) BTKABCB11KDRBRD4EPHB4
Hydrochloric Acid SCHEMBL14635259 0.86 BTK (0.43) BTKKDRBRD4LYNTXK
SCHEMBL14650740 0.85 BTK (0.48) BTKABCB11KDRBRD4EPHB4
SCHEMBL2465824 0.85 EPHB4 (0.49) BTKABCB11KDREPHB4LYN
SCHEMBL14633934 0.84 BTK (0.49) BTKABCB11KDRBRD4EPHB4

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-20130023534-A1 PYRAZOLYL-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 (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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 BTK 302/4885ABCB11 4525/4885KDR 546/4885

“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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