SCHEMBL19670642

SCHEMBL19670642

C/N=C/c1ncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.32
▸ FAAH O00519 4/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PIM1 P11309 2/20 0.30
▸ ATM Q13315 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
SCHEMBL19706574 0.92 FAAH (0.35) KDM4EFAAHGSK3BDYRK1A
SCHEMBL16754291 0.88 KDM4E (0.35) KDM4EFAAHRAB9AKMT2AMEN1
SCHEMBL16776496 0.86 KDM4E (0.40) KDM4EFAAHRAB9AKMT2AMEN1
SCHEMBL19706066 0.86 FAAH (0.35) FAAHKMT2AMEN1GSK3BDYRK1A
SCHEMBL19670259 0.86 FAAH (0.35) FAAHKMT2AMEN1GSK3BDYRK1A
SCHEMBL19670616 0.85 KDM4E (0.33) KDM4EFAAHRAB9AKMT2AMEN1
SCHEMBL17618518 0.85 PIK3CA (0.39) KDM4EFAAHTP53L3MBTL1GSK3B
SCHEMBL16754501 0.85 FAAH (0.36) KDM4EFAAHRAB9AKMT2AMEN1
SCHEMBL16754406 0.85 TBK1 (0.35) KDM4EFAAHRAB9AKMT2AMEN1
SCHEMBL19670501 0.84 FAAH (0.35) FAAHGSK3BDYRK1A

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 KDM4E 950/4885FAAH 977/4885RAB9A 1471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM4E 950/4885FAAH 977/4885RAB9A 1471/4885

“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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