SCHEMBL19670311

SCHEMBL19670311

CN1CCCN(C(=O)Nc2ccc(F)cn2)c2nc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.37
▸ KARS1 Q15046 2/20 0.36
▸ MAP3K12 Q12852 1/20 0.35
▸ SLC34A1 Q06495 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ CSF1R P07333 3/20 0.34
▸ MET P08581 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ SCD O00767 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ ITGB2 P05107 1/20 0.33

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
SCHEMBL19365564 0.93 FGFR4 (0.39) FGFR4KARS1CLK2LRRK2CSF1R
SCHEMBL19365456 0.93 FGFR4 (0.39) FGFR4KARS1CLK2LRRK2CSF1R
SCHEMBL19706156 0.91 FGFR4 (0.38) FGFR4KARS1MAP3K12SLC34A1SCN10A
SCHEMBL19670490 0.88 SLC34A1 (0.36) KARS1MAP3K12SLC34A1SCN10ACLK2
SCHEMBL16776128 0.86 FGFR4 (0.38) FGFR4KARS1MAP3K12SLC34A1SCN10A
SCHEMBL19365587 0.84 FGFR4 (0.39) FGFR4CSF1RMETKDRWNT1
SCHEMBL19365483 0.84 KARS1 (0.43) FGFR4KARS1LRRK2GSK3BDYRK1A
SCHEMBL16238200 0.83 SCD (0.37) KARS1MAP3K12SLC34A1SCN10ACLK2
SCHEMBL19365732 0.82 KARS1 (0.40) KARS1GSK3BDYRK1A
SCHEMBL19365599 0.82 KARS1 (0.40) KARS1GSK3BDYRK1A

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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 (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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 2275/4885KARS1 1429/4885MAP3K12 1873/4885

“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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