SCHEMBL19706574

SCHEMBL19706574

C/N=C\c1ncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ GPR6 P46095 2/20 0.31
▸ SCD O00767 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CTPS1 P17812 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
SCHEMBL19670642 0.92 KDM4E (0.32) FAAHKDM4EGSK3BDYRK1A
SCHEMBL19670501 0.88 FAAH (0.35) FAAHMLLT1SCDGSK3BDYRK1A
SCHEMBL16754338 0.88 ABL1 (0.38) FAAHKDM4EMLLT1GPR6SCD
SCHEMBL19361182 0.86 FAAH (0.38) FAAHKDM4EMLLT1GSK3B
SCHEMBL19706066 0.85 FAAH (0.35) FAAHGSK3BDYRK1A
SCHEMBL19670259 0.85 FAAH (0.35) FAAHGSK3BDYRK1A
SCHEMBL19670616 0.85 KDM4E (0.33) FAAHKDM4EDYRK1A
SCHEMBL16754578 0.84 GPR6 (0.36) FAAHGPR6
SCHEMBL19699702 0.84 GPR6 (0.36) FAAHGPR6
SCHEMBL17618624 0.84 GSK3B (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1077/4885KDM4E 1355/4885MLLT1 2189/4885

“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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