SCHEMBL16776015

SCHEMBL16776015

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H](C)CCN3)ccn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ WNT3A P56704 7/20 0.41
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL16776048 0.88 ABL1 (0.35) MAPK1HCRTR1ABL1
SCHEMBL16776231 0.86 ABL1 (0.38) MAPK1WNT3AABL1
SCHEMBL16776203 0.86 ABL1 (0.36) MAPK1WNT3AABL1
SCHEMBL19365654 0.84 HCRTR1 (0.44) MAPK1HCRTR1WNT3AABL1
SCHEMBL16776284 0.83 ABL1 (0.36) MAPK1WNT3AABL1
SCHEMBL16776028 0.82 FGFR4 (0.38) MAPK1WNT3AABL1
SCHEMBL16776233 0.80 DYRK1A (0.34) MAPK1WNT3AABL1
SCHEMBL16776228 0.79 NOTUM (0.38) MAPK1WNT3A
SCHEMBL17618513 0.78 HCRTR1 (0.42) MAPK1HCRTR1WNT3AABL1
SCHEMBL16776014 0.78 GRM5 (0.40) WNT3AABL1

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 MAPK1 2404/4885HCRTR1 2303/4885WNT3A 4291/4885

“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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