SCHEMBL18780747

SCHEMBL18780747

CC(C)(C)OC(=O)Nc1ccc(Nc2ccnc(Nc3cccc(N[SH](=O)=O)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AURKA O14965 12/20 0.48
ITK Q08881 1/20 0.48
AURKB Q96GD4 2/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.45
IGF1R P08069 1/20 0.45
EIF2AK2 P19525 1/20 0.45
BMX P51813 1/20 0.45

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
SCHEMBL28189261 0.88 NPC1 (0.57) SYKNPC1RAB9AAURKAITK
SCHEMBL17266536 0.83 JAK3 (0.58) SYKAURKA
SCHEMBL28823474 0.81 SYK (0.52) SYKNPC1RAB9AAURKAITK
SCHEMBL18780746 0.79 AURKA (0.54) SYKNPC1RAB9AAURKAAURKB
SCHEMBL30737936 0.79 AURKA (0.56) NPC1RAB9AAURKAAURKB
SCHEMBL18757745 0.78 HDAC3 (0.48) SYKAURKA
SCHEMBL28850302 0.77 SYK (0.50) SYKNPC1RAB9AAURKAITK
SCHEMBL28039312 0.75 SYK (0.48) SYKNPC1RAB9AAURKAITK
SCHEMBL28039617 0.74 SYK (0.48) SYKNPC1RAB9AAURKAITK
SCHEMBL26532197 0.74 MEN1 (0.50) SYKNPC1RAB9AAURKAAURKB

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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 SYK 2975/4885NPC1 925/4885RAB9A 2760/4885

“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.