SCHEMBL16775873

SCHEMBL16775873

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OC[C@H](O)CO)c2)CCCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.39
▸ RPS6KA2 Q15349 2/20 0.37
▸ KDR P35968 3/20 0.36
▸ RAF1 P04049 5/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL16775880 0.92 RPS6KA3 (0.35) RPS6KA2KMOFAAHRPS6KA3
SCHEMBL16775870 0.87 GRM5 (0.39) CA9RPS6KA2KMOADORA3ADORA2A
SCHEMBL16775871 0.81 EGFR (0.33) RPS6KA2KDRRAF1CYP3A4KMO
SCHEMBL16785536 0.80 RAF1 (0.36) CA9RAF1KMOADORA2A
SCHEMBL16776144 0.79 KMT2A (0.44) CA9RPS6KA2KMOFAAHALDH1A1
SCHEMBL16775872 0.79 PIK3CA (0.33) KMOFAAHRPS6KA3
SCHEMBL18415694 0.78 RAF1 (0.38) KDRRAF1
SCHEMBL16785561 0.78 FGFR4 (0.36) CA9RAF1KMO
SCHEMBL16775855 0.76 CA9 (0.39) CA9RPS6KA2KDRCYP1A2CYP3A4
SCHEMBL16775921 0.76 FGFR4 (0.37) CA9RPS6KA2KMOADORA3ADORA2A

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 CA9 4248/4885RPS6KA2 2318/4885KDR 1697/4885

“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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