SCHEMBL17601537

SCHEMBL17601537

CC(C)(C)N(Cc1cn(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)nn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ UBE2M P61081 5/20 0.37
▸ DCUN1D1 Q96GG9 5/20 0.37
▸ IDH2 P48735 1/20 0.35
▸ GPR142 Q7Z601 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALK Q9UM73 2/20 0.34

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 0.88 NOTUM (0.46) AURKAAURKBGPR142NOTUMMAPT
SCHEMBL16238490 0.88 AURKA (0.40) AURKAAURKBIDH2GPR142NOTUM
Trifluoroacetic Acid SCHEMBL16238799 0.87 NOTUM (0.44) AURKAAURKBIDH2GPR142NOTUM
SCHEMBL16249982 0.86 AURKA (0.38) AURKAAURKBGPR142NOTUMMAPT
SCHEMBL19865067 0.84 NOTUM (0.47) AURKAAURKBGPR142NOTUMMEN1
SCHEMBL16238397 0.83 AURKA (0.37) AURKAAURKBGPR142NOTUMALK
SCHEMBL16249981 0.82 HDAC3 (0.40) AURKAAURKBNOTUMALK
SCHEMBL17618783 0.82 MEN1 (0.47) IDH2MAPTMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL16754672 0.81 HDAC3 (0.40) AURKAAURKBNOTUMALK
SCHEMBL17601648 0.81 IDH2 (0.36) AURKAAURKBUBE2MDCUN1D1IDH2

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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 2147/4885AURKB 887/4885UBE2M 379/4885

“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