SCHEMBL19865067

SCHEMBL19865067

NCc1cn(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC3CC4)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.47
▸ AURKA O14965 8/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ ALK Q9UM73 2/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GPR142 Q7Z601 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GOT1 P17174 1/20 0.36

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
SCHEMBL16238555 0.96 NOTUM (0.46) NOTUMAURKAAURKBALKHDAC3
Trifluoroacetic Acid SCHEMBL16238799 0.93 NOTUM (0.44) NOTUMAURKAAURKBALKHDAC3
SCHEMBL16238490 0.87 AURKA (0.40) NOTUMAURKAAURKBALKHDAC3
SCHEMBL19670549 0.87 NOTUM (0.45) NOTUMAURKAAURKBALKHDAC3
SCHEMBL16238397 0.86 AURKA (0.37) NOTUMAURKAAURKBALKHDAC3
SCHEMBL16249982 0.86 AURKA (0.38) NOTUMAURKAAURKBALKGPR142
SCHEMBL16249981 0.85 HDAC3 (0.40) NOTUMAURKAAURKBALKHDAC3
Hydrochloric Acid SCHEMBL16754672 0.84 HDAC3 (0.40) NOTUMAURKAAURKBALKHDAC3
SCHEMBL17601537 0.84 AURKA (0.38) NOTUMAURKAAURKBALKGPR142
SCHEMBL19699081 0.83 IDH2 (0.46) MEN1ALDH1A1KMT2AGOT1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOTUM 3345/4885AURKA 2147/4885AURKB 887/4885

“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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