SCHEMBL19706103

SCHEMBL19706103

OC(Nc1ccccn1)N1c2nc(N3CCC[C@H]3C(F)(F)F)ccc2N2CCC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ MAP4K4 O95819 2/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ BTK Q06187 2/20 0.30
▸ LCK P06239 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ NTRK1 P04629 1/20 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
SCHEMBL19670500 0.88 MAP4K4 (0.43) PDE10ADGAT2MAP4K4BTK
SCHEMBL19670351 0.88 MAP4K4 (0.43) PDE10ADGAT2MAP4K4BTK
SCHEMBL16754552 0.82 TRPV1 (0.40) PIK3C3DGAT2BTKLCKJAK2
SCHEMBL16754313 0.82 TRPV1 (0.40) PIK3C3DGAT2BTKLCKJAK2
SCHEMBL16754311 0.82 TRPV1 (0.40) PIK3C3DGAT2BTKLCKJAK2
SCHEMBL19670506 0.80 MAP4K4 (0.46) PDE10AMAP4K4IDH2
SCHEMBL19670672 0.80 MAP4K4 (0.46) PDE10AMAP4K4IDH2
SCHEMBL16754512 0.79 TRPV1 (0.40) PIK3C3DGAT2LCKJAK2NTRK1
SCHEMBL16754324 0.79 TRPV1 (0.40) PIK3C3DGAT2LCKJAK2NTRK1
SCHEMBL16754516 0.79 TRPV1 (0.40) PIK3C3DGAT2LCKJAK2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
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 (3 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 PRKCQ 1416/4885GRM4 4326/4885PIK3C3 4778/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PRKCQ 1738/4885GRM4 4593/4885PIK3C3 4718/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PRKCQ 1416/4885GRM4 4326/4885PIK3C3 4778/4885

“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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