SCHEMBL20550415

SCHEMBL20550415

O=C(NCC(F)(F)F)c1ncc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCN2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ SCN10A Q9Y5Y9 3/20 0.33
▸ CTSS P25774 6/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ ACACB O00763 2/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MAPK1 P28482 2/20 0.31

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
SCHEMBL20550680 0.89 TRPV1 (0.40) JAK2JAK1TYK2JAK3CTSS
SCHEMBL17770356 0.88 LOXL2 (0.35) JAK2JAK1TYK2JAK3SCN10A
SCHEMBL17770109 0.88 LOXL2 (0.35) JAK2JAK1TYK2JAK3SCN10A
SCHEMBL17769550 0.86 AXL (0.34) ACACB
SCHEMBL17769549 0.86 AXL (0.34) ACACB
SCHEMBL17769663 0.86 OPRK1 (0.34) CHEK1GSK3B
SCHEMBL20550605 0.85 GSK3B (0.43) GSK3B
SCHEMBL17769634 0.84 TRPV1 (0.39) JAK2JAK1TYK2JAK3CTSS
SCHEMBL17769352 0.83 OPRK1 (0.42) —
SCHEMBL17769757 0.83 OPRK1 (0.42) —

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 JAK2 1856/4885JAK1 2463/4885TYK2 2258/4885

“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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