SCHEMBL19699702

SCHEMBL19699702

N#Cc1ncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)C2CCN3C2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 3/20 0.36
▸ FAAH O00519 2/20 0.36
▸ TBK1 Q9UHD2 10/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL16754578 1.00 GPR6 (0.36) GPR6FAAHTBK1USP30THRB
SCHEMBL16754406 0.91 TBK1 (0.35) GPR6FAAHTBK1THRBCHEK1
SCHEMBL16754338 0.88 ABL1 (0.38) GPR6FAAH
SCHEMBL19361182 0.88 FAAH (0.38) FAAH
SCHEMBL17618644 0.88 HRH3 (0.39) GPR6FAAHTBK1CHEK1KCNH2
SCHEMBL19361187 0.87 GSK3B (0.41) THRBJAK2JAK1JAK3KCNH2
SCHEMBL16754493 0.86 CHEK1 (0.37) FAAHUSP30THRBCHEK1JAK2
SCHEMBL17618624 0.86 GSK3B (0.39) FAAH
SCHEMBL17618621 0.85 FAAH (0.39) FAAH
SCHEMBL17618489 0.84 THRB (0.44) GPR6FAAHUSP30THRB

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 2 patents. 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
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 GPR6 2775/4885FAAH 1077/4885TBK1 1259/4885

“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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