SCHEMBL16776143

SCHEMBL16776143

COc1cc(NC(=O)N2c3nc(-c4cncc(C)c4)ccc3NCCC[C@H]2C)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ FAAH O00519 1/20 0.35
▸ KIT P10721 1/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16776037 0.95 FGFR4 (0.37) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776177 0.92 RPS6KA2 (0.40) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776209 0.90 KCNH2 (0.42) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776246 0.89 RPS6KA2 (0.35) RPS6KA2FAAHPRMT5WDR77HDAC8
SCHEMBL16776239 0.87 ABL1 (0.40) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776240 0.86 WNT1 (0.35) PRMT5WDR77NPC1RAB9AHDAC8
SCHEMBL16776230 0.86 PRMT5 (0.39) RPS6KA2FGFR4FAAHPRMT5WDR77
SCHEMBL16776032 0.85 KCNH2 (0.41) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776045 0.84 RPS6KA2 (0.38) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2
SCHEMBL16776127 0.84 RPS6KA2 (0.38) RPS6KA2FGFR4CYP2C9ALOX5APKCNH2

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 2318/4885FGFR4 1754/4885CYP2C9 2535/4885

“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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