SCHEMBL16776046

SCHEMBL16776046

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H](C)CCN3)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.35
▸ HDAC8 Q9BY41 1/20 0.33
▸ AR P10275 1/20 0.33
▸ RPS6KA2 Q15349 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ GNRHR P30968 3/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ PRMT5 O14744 4/20 0.32
▸ WDR77 Q9BQA1 4/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ADORA2B P29275 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL16776246 0.95 RPS6KA2 (0.35) FAAHHDAC8ARRPS6KA2ATR
SCHEMBL16776050 0.90 PRMT5 (0.38) FAAHHDAC8RPS6KA2ATRPRMT5
SCHEMBL16776037 0.89 FGFR4 (0.37) FAAHHDAC8RPS6KA2GSK3BDYRK1A
SCHEMBL16776048 0.88 ABL1 (0.35) —
SCHEMBL16776203 0.87 ABL1 (0.36) FAAHARRPS6KA2ADORA2B
SCHEMBL16776230 0.85 PRMT5 (0.39) FAAHRPS6KA2PRMT5WDR77GSK3B
SCHEMBL16776279 0.85 GSK3B (0.38) FAAHARRPS6KA2GSK3BDYRK1A
SCHEMBL16776240 0.84 WNT1 (0.35) HDAC8PRMT5WDR77GSK3BDYRK1A
SCHEMBL16776143 0.84 RPS6KA2 (0.39) FAAHHDAC8RPS6KA2PRMT5WDR77
SCHEMBL16776188 0.84 ATR (0.42) FAAHRPS6KA2ATRGSK3BDYRK1A

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 FAAH 977/4885HDAC8 110/4885AR 3677/4885

“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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