SCHEMBL19699029

SCHEMBL19699029

CCCCN1CCNc2nc(N3CCC[C@@H]3C(F)(F)F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ MAP4K1 Q92918 1/20 0.32
▸ SPHK2 Q9NRA0 2/20 0.30
▸ SPHK1 Q9NYA1 2/20 0.30

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
SCHEMBL19699031 1.00 MEN1 (0.34) MEN1KMT2APDE10AMAP4K1SPHK2
SCHEMBL20733270 0.84 PDE10A (0.33) MEN1KMT2APDE10AMAP4K1
SCHEMBL19699033 0.82 MAP4K4 (0.42) MEN1KMT2A
SCHEMBL19699032 0.80 MAP4K4 (0.41) MEN1KMT2APDE10A
SCHEMBL19699030 0.74 MEN1 (0.45) MEN1KMT2A
SCHEMBL20733299 0.68 EGLN2 (0.39) —
SCHEMBL16754611 0.68 MAP4K4 (0.32) MEN1KMT2A
SCHEMBL17778533 0.68 MAP4K4 (0.32) MEN1KMT2A
SCHEMBL16754694 0.68 MAP4K4 (0.32) MEN1KMT2A
SCHEMBL16754610 0.68 MAP4K4 (0.32) MEN1KMT2A

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885PDE10A 2635/4885

“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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