SCHEMBL16776153

SCHEMBL16776153

CS(=O)(=O)Nc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)CCCN3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.42
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TYRO3 Q06418 4/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.37

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
SCHEMBL16776150 0.89 KCNH2 (0.39) PIK3CAPIK3CGATRCYP11B2GAA
SCHEMBL16776005 0.84 KARS1 (0.50) JAK2CYP1A2CYP3A4CYP2D6USP2
SCHEMBL16776107 0.83 RAB9A (0.37) NPC1RAB9ACYP11B2GAARPS6KA3
SCHEMBL16775818 0.83 ALOX15 (0.46) FYNCYP3A4CYP2D6CLK4RPS6KA3
SCHEMBL16776016 0.82 WNT3A (0.40) MAPK1CYP11B2
SCHEMBL16776186 0.82 CYP11B2 (0.41) TYRO3CYP11B2SIRT2
SCHEMBL16775959 0.82 ABL1 (0.43) FYNTYRO3CYP3A4CYP2D6SIRT2
SCHEMBL16776059 0.81 CYP11B2 (0.37) NPC1RAB9ACYP11B2GAARPS6KA3
SCHEMBL16776096 0.81 USP30 (0.39) CYP1A2CYP3A4MAPK1CYP11B2SIRT2
SCHEMBL16776027 0.81 KARS1 (0.44) CYP1A2CYP3A4CYP2D6USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FYN 2694/4885PIK3CA 3691/4885PIK3CG 3210/4885

“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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