SCHEMBL16776246

SCHEMBL16776246

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H](C)CCCN3)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.35
▸ PRMT5 O14744 6/20 0.35
▸ WDR77 Q9BQA1 6/20 0.35
▸ FAAH O00519 2/20 0.34
▸ GNRHR P30968 3/20 0.33
▸ MLLT1 Q03111 2/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ AR P10275 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL16776046 0.95 FAAH (0.35) RPS6KA2PRMT5WDR77FAAHGNRHR
SCHEMBL16776230 0.90 PRMT5 (0.39) RPS6KA2PRMT5WDR77FAAHGSK3B
SCHEMBL16776279 0.90 GSK3B (0.38) RPS6KA2FAAHMLLT1ARGSK3B
SCHEMBL16776240 0.89 WNT1 (0.35) PRMT5WDR77MLLT1HDAC8GSK3B
SCHEMBL16776188 0.89 ATR (0.42) RPS6KA2FAAHATRGSK3BDYRK1A
SCHEMBL16776143 0.89 RPS6KA2 (0.39) RPS6KA2PRMT5WDR77FAAHHDAC8
SCHEMBL16776050 0.85 PRMT5 (0.38) RPS6KA2PRMT5WDR77FAAHHDAC8
SCHEMBL16776244 0.85 ABL1 (0.40) —
SCHEMBL16776243 0.84 RPS6KA3 (0.39) RPS6KA2PRMT5WDR77DYRK1A
SCHEMBL16776037 0.84 FGFR4 (0.37) RPS6KA2FAAHHDAC8GSK3BDYRK1A

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 RPS6KA2 2318/4885PRMT5 209/4885WDR77 1434/4885

“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.

Send feedback