SCHEMBL16776353

SCHEMBL16776353

CCCn1cc(-c2cccc(NC(=O)N3CCCNc4ccc(-c5cccc(C)c5)nc43)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ CSF1R P07333 2/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ HCRTR2 O43614 5/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL16776313 0.87 NAMPT (0.40) NAMPTHCRTR2TYRO3
SCHEMBL16776327 0.83 RPS6KA2 (0.39) IRAK4RPS6KA2KARS1
SCHEMBL16776354 0.79 RPS6KA2 (0.39) RPS6KA2KARS1
SCHEMBL16775850 0.78 FGFR4 (0.44) CSF1RRPS6KA2HCRTR2
SCHEMBL16776022 0.77 RPS6KA2 (0.41) RPS6KA2
SCHEMBL16775855 0.77 CA9 (0.39) RPS6KA2KARS1
SCHEMBL16776092 0.76 FGFR4 (0.44) CSF1RIRAK4RPS6KA2KITPDGFRA
SCHEMBL16775921 0.76 FGFR4 (0.37) RPS6KA2
SCHEMBL16776144 0.74 KMT2A (0.44) RPS6KA2
SCHEMBL16776011 0.74 CA9 (0.38) RPS6KA2

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 NAMPT 74/4885PIM1 2799/4885CSF1R 2306/4885

“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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