SCHEMBL1319853

SCHEMBL1319853

CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2CCC[C@@H](NC(=O)c3ccccc3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52
▸ RET P07949 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.44
▸ PPARA Q07869 7/20 0.44
▸ PPARD Q03181 5/20 0.44
▸ KDM1A O60341 3/20 0.42
▸ BTK Q06187 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ TYK2 P29597 3/20 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
SCHEMBL16966441 0.91 KDM1A (0.45) AURKAPDPK1AURKBKDM1ACYP11B1
SCHEMBL13354810 0.88 AURKA (0.58) AURKAPDPK1AURKBUSP30PPARA
SCHEMBL12119796 0.85 AURKA (0.54) AURKAPDPK1AURKBRETKDM1A
SCHEMBL1320953 0.81 KDM1A (0.52) KDM1ACYP11B1CYP11B2
SCHEMBL3131514 0.80 CCNC (0.40) AURKAPDPK1AURKBPPARAPPARD
SCHEMBL1317620 0.80 CYP11B1 (0.41) AURKAPDPK1AURKBRETKDM1A
SCHEMBL3121213 0.80 PDPK1 (0.53) AURKAPDPK1AURKBKDM1ACYP11B1
SCHEMBL16966526 0.80 PDPK1 (0.53) AURKAPDPK1AURKBKDM1ACYP11B1
SCHEMBL1318005 0.79 PDPK1 (0.83) AURKAPDPK1AURKB
SCHEMBL16966468 0.78 AURKA (0.41) AURKAPDPK1AURKBKDM1APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 AURKA 298/4885PDPK1 12/4885AURKB 262/4885

“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.

Send feedback