SCHEMBL16776504

SCHEMBL16776504

CC1CCN2C[C@H]1N(C(=O)Nc1cnccn1)c1nc(N3CCC[C@H](C(F)(F)F)C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.39
▸ POLB P06746 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAP3K12 Q12852 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
SCHEMBL19365453 0.88 MAP4K4 (0.41) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL19670304 0.88 MAP4K4 (0.41) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL16754325 0.88 MAP4K4 (0.41) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL16754452 0.88 MAP4K4 (0.41) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL16776498 0.88 ALDH1A1 (0.41) MAP4K4TRPV3PIM2
SCHEMBL17624473 0.84 POLB (0.39) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL19670203 0.84 POLB (0.39) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL19365455 0.83 POLB (0.39) MAP4K4POLBTRPV3EIF2AK4KMT2A
SCHEMBL16754498 0.81 KDM4E (0.40) MAP4K4POLBTRPV3SCN10AMAP3K12
SCHEMBL16754344 0.79 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4KMT2ASCN10A

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 MAP4K4 2229/4885POLB 961/4885TRPV3 4093/4885

“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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