SCHEMBL16776209

SCHEMBL16776209

COc1cc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3NCCC[C@H]2C)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ RPS6KA2 Q15349 1/20 0.40
▸ FGFR4 P22455 1/20 0.39
▸ ABL1 P00519 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ CDK9 P50750 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ SLC34A1 Q06495 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL16776032 0.95 KCNH2 (0.41) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776177 0.91 RPS6KA2 (0.40) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776143 0.90 RPS6KA2 (0.39) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776239 0.86 ABL1 (0.40) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776028 0.86 FGFR4 (0.38) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776037 0.85 FGFR4 (0.37) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776045 0.85 RPS6KA2 (0.38) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776127 0.85 RPS6KA2 (0.38) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776258 0.84 CYP2C9 (0.38) KCNH2CYP2C9ALOX5APRPS6KA2FGFR4
SCHEMBL16776198 0.84 GRM5 (0.39) KCNH2ABL1HRH3POLBGSK3B

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 KCNH2 4052/4885CYP2C9 2535/4885ALOX5AP 3669/4885

“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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