SCHEMBL19670248

SCHEMBL19670248

COc1cc(NC(=O)N(c2nc(-c3cccc(N4CCOCC4)c3)ccc2N)C2CCCCC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ MET P08581 2/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ SYK P43405 2/20 0.38
▸ FAAH O00519 1/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ PTK2 Q05397 1/20 0.35

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
SCHEMBL19670413 0.87 ATR (0.43) ATRPRKCAPRKCQAKT1SYK
SCHEMBL19670525 0.86 ATR (0.45) ATRPRKCAPRKCQAKT1SYK
SCHEMBL19365311 0.85 CNR2 (0.39) ATRKCNH2SYKFAAHFGFR4
SCHEMBL19365705 0.85 MAP4K4 (0.38) KCNH2SYKFAAHFGFR4
SCHEMBL19670395 0.84 ATR (0.45) ATRPRKCAPRKCQAKT1SYK
SCHEMBL19670449 0.84 KDR (0.40) FAAHPIK3CD
SCHEMBL19670541 0.83 ATR (0.42) ATRPRKCAPRKCQAKT1SYK
SCHEMBL19365374 0.83 MCHR1 (0.41) ATRKCNH2FAAHFGFR4
SCHEMBL19365450 0.83 HDAC1 (0.41) ATRKCNH2PRKCAFAAHFGFR4
SCHEMBL19365497 0.81 ALOX5AP (0.40) KCNH2FAAHFGFR4

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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 ATR 1867/4885KCNH2 4052/4885MET 3763/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ATR 1867/4885KCNH2 4052/4885MET 3763/4885

“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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