SCHEMBL16776160

SCHEMBL16776160

CC1(F)CCN(c2cc(-c3ccc4c(n3)N(C(=O)Nc3cnccn3)CCCN4)ccn2)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 15/20 0.40
▸ DYRK1A Q13627 3/20 0.35
▸ PRKD1 Q15139 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ FGFR4 P22455 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
SCHEMBL16776126 0.90 KARS1 (0.39) KARS1PRKD1PRKD2FGFR4
SCHEMBL16776171 0.88 KARS1 (0.48) KARS1DYRK1APRKD1PRKD2GSK3B
SCHEMBL16776163 0.84 FGFR4 (0.40) KARS1DYRK1APRKD1PRKD2FGFR4
SCHEMBL16776027 0.83 KARS1 (0.44) KARS1FGFR4
SCHEMBL16776063 0.83 MAP4K4 (0.40) KARS1GSK3B
SCHEMBL16776016 0.83 WNT3A (0.40) KARS1
SCHEMBL16776077 0.81 DYRK1A (0.35) KARS1DYRK1AWNT1GSK3B
SCHEMBL19365800 0.80 KARS1 (0.37) KARS1DYRK1AWNT1GSK3B
SCHEMBL16776107 0.80 RAB9A (0.37) DYRK1AGSK3BFGFR4
SCHEMBL16776129 0.80 FGFR4 (0.42) KARS1DYRK1AWNT1GSK3BFGFR4

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885DYRK1A 2623/4885PRKD1 2346/4885

“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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