SCHEMBL19670433

SCHEMBL19670433

CCN1CCCN(C(=O)Nc2cnccn2)c2nc(-c3ccnc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BRAF P15056 4/20 0.35
▸ GRIN2B Q13224 2/20 0.34
▸ FGFR4 P22455 3/20 0.34
▸ DYRK3 O43781 3/20 0.34
▸ PRKD3 O94806 3/20 0.34
▸ MAP4K4 O95819 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CLK2 P49760 3/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ LIMK1 P53667 3/20 0.34
▸ CDK5 Q00535 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ BRSK1 Q8TDC3 3/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.34
▸ STK17A Q9UEE5 3/20 0.34

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
SCHEMBL19670663 0.90 FGFR4 (0.40) GRIN2BFGFR4TRPV3PDE4B
SCHEMBL19670394 0.89 FAAH (0.34) BRAFGRIN2BFGFR4MAP4K4RPS6KB1
SCHEMBL19670124 0.89 WNT3A (0.40) CSF1R
SCHEMBL19670453 0.88 HTR2C (0.36) BRAFGRIN2BMAP4K4RPS6KB1TRPV3
SCHEMBL19670530 0.87 FAAH (0.41) GRIN2BGSK3BDYRK1ARPS6KB1TRPV3
SCHEMBL19670692 0.86 BRAF (0.38) BRAFTRPV3RAF1PDE4B
SCHEMBL19670496 0.85 MTOR (0.38) TSHRFGFR4GSK3BCDK5DYRK1A
SCHEMBL19699074 0.81 FAAH (0.37) FGFR4CLK2GSK3BDYRK1ACHRNB2
SCHEMBL19670344 0.79 FGFR4 (0.35) HSD17B10FGFR4IRAK4CSF1RCYP2D6
SCHEMBL19670591 0.78 FGFR4 (0.42) FGFR4SIRT2

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 4 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
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 (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 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALOX15 2816/4885TSHR 2548/4885CASP1 419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885

“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.

Send feedback