SCHEMBL11029787

SCHEMBL11029787

CN1CCN(c2ccc(Nc3cc(-c4cccc(NS(=O)(=O)c5ccn(C)n5)c4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ BRD4 O60885 8/20 0.46
▸ FGFR4 P22455 1/20 0.45
▸ SLC2A1 P11166 1/20 0.43
▸ BTK Q06187 4/20 0.43
▸ EGFR P00533 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ AURKA O14965 2/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL11030640 0.87 PTK2 (0.59) JAK2JAK3PTK2BRD4SLC2A1
SCHEMBL11031274 0.85 BRD4 (0.46) JAK2JAK3PTK2BRD4SLC2A1
SCHEMBL11030430 0.84 BRD4 (0.63) JAK2JAK3PTK2BRD4SLC2A1
SCHEMBL11028800 0.83 BRD4 (0.48) JAK2JAK3PTK2BRD4SLC2A1
SCHEMBL11032241 0.82 BRD4 (0.46) JAK2JAK3PTK2BRD4SLC2A1
SCHEMBL11029599 0.81 MAPKAPK2 (0.58) SLC2A1BTKEGFRMAP4K1AURKA
SCHEMBL11026741 0.80 FYN (0.55) FGFR4SLC2A1BTKEGFRAURKA
SCHEMBL11029346 0.80 MAPKAPK2 (0.61) BRD4SLC2A1BTKEGFRAURKA
SCHEMBL11031445 0.80 SLC2A1 (0.51) PTK2BRD4SLC2A1BTKEGFR
SCHEMBL11030051 0.79 SLC2A1 (0.57) SLC2A1EGFRMAP4K1AURKAMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 — — US claimed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 — — EP claimed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — US claimed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — WO claimed
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 — — US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 — — EP disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — WO disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 — — 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-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 JAK2 83/4885JAK3 344/4885PTK2 290/4885

“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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