SCHEMBL19736465

SCHEMBL19736465

CC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(C(=O)N[C@H]3CCOC3)ccn1)[C@H]1CCN2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NAMPT P43490 5/20 0.36
▸ PRKD1 Q15139 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ GSK3B P49841 5/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PIP5K1C O60331 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ ACACB O00763 1/20 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
SCHEMBL19714391 0.93 CBLB (0.36) CBLBIRAK4HPGDSABL1NAMPT
SCHEMBL19714392 0.93 CBLB (0.36) CBLBIRAK4HPGDSABL1NAMPT
SCHEMBL19714394 0.93 CBLB (0.36) CBLBIRAK4HPGDSABL1NAMPT
SCHEMBL19736471 0.92 ACACB (0.37) BRD4PLK1MAPTGSK3BPIK3C3
SCHEMBL19713967 0.90 NAMPT (0.38) CBLBIRAK4HPGDSABL1NAMPT
SCHEMBL19713968 0.90 NAMPT (0.38) CBLBIRAK4HPGDSABL1NAMPT
SCHEMBL19736506 0.90 FDPS (0.40) MAPTGSK3BACACB
SCHEMBL19736179 0.86 HRH3 (0.37) MAPTGSK3BACACB
SCHEMBL22239575 0.86 MAP3K12 (0.36) IRAK4PRKD1PRKD2MAPTGSK3B
SCHEMBL19736178 0.85 CNR2 (0.37) IRAK4NAMPTMAPTGSK3BACACB

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CBLB 4475/4885IRAK4 2915/4885HPGDS 988/4885

“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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