SCHEMBL16776168

SCHEMBL16776168

C[C@@H]1CCCNc2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ HIF1A Q16665 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ AKT1 P31749 3/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ MLLT1 Q03111 4/20 0.33
▸ FAAH O00519 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PORCN Q9H237 2/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL16776240 0.91 WNT1 (0.35) DYRK1AGSK3BHIF1AKARS1WNT1
SCHEMBL16776140 0.84 DYRK1A (0.37) DYRK1AGSK3BABL1KARS1WNT1
SCHEMBL16776236 0.84 PRMT5 (0.38) DYRK1AGSK3B
SCHEMBL16776047 0.83 KARS1 (0.36) DYRK1AGSK3BABL1KARS1WNT1
SCHEMBL16776139 0.83 KARS1 (0.36) DYRK1AGSK3BABL1KARS1WNT1
SCHEMBL16776242 0.82 ABL1 (0.40) ABL1
SCHEMBL16776230 0.82 PRMT5 (0.39) DYRK1AGSK3BWNT1FAAHKMT2A
SCHEMBL16776261 0.82 ABL1 (0.37) DYRK1AGSK3BABL1
SCHEMBL16776145 0.82 TRPV3 (0.35) DYRK1AWNT1
SCHEMBL16776207 0.81 GSK3B (0.37) DYRK1AGSK3BABL1MLLT1

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 DYRK1A 2623/4885GSK3B 1728/4885HIF1A 382/4885

“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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