SCHEMBL16776047

SCHEMBL16776047

C[C@H]1CCCNc2ccc(-c3cccc(N(C)C)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.36
▸ FYN P06241 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ BCR P11274 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ PRKD1 Q15139 1/20 0.32
▸ WNT1 P04628 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
SCHEMBL16776139 1.00 KARS1 (0.36) KARS1FYNSIRT2ATRFAAH
SCHEMBL16776123 0.91 ABL1 (0.38) FYNSIRT2FAAHHDAC8ABL1
SCHEMBL16776045 0.85 RPS6KA2 (0.38) FYNFAAHHDAC8ABL1BCR
SCHEMBL16776127 0.85 RPS6KA2 (0.38) FYNFAAHHDAC8ABL1BCR
SCHEMBL16776240 0.84 WNT1 (0.35) KARS1HDAC8GSK3BDYRK1APRKD1
SCHEMBL16775904 0.84 GRM5 (0.42) KARS1FYNSIRT2FAAH
SCHEMBL16776168 0.83 DYRK1A (0.38) KARS1FAAHABL1GSK3BDYRK1A
SCHEMBL16776055 0.83 KARS1 (0.49) KARS1SIRT2FAAHABL1BCR
SCHEMBL16775991 0.83 THRB (0.39) KARS1SIRT2ATR
SCHEMBL16776052 0.82 CREBBP (0.43) ATRSMN1; SMN2GSK3BDYRK1AWNT1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 1760/4885FYN 2694/4885SIRT2 3/4885

“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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