SCHEMBL16776389

SCHEMBL16776389

Cc1nc(NC(=O)N2c3nc(-c4cncc(C(C)(C)C)c4)ccc3NC[C@@H](C)[C@H]2C)sc1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.33
▸ PIK3CB P42338 8/20 0.33
▸ PIK3CD O00329 8/20 0.33
▸ PIK3CG P48736 7/20 0.33
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ GAK O14976 1/20 0.30
▸ PRKACG P22612 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ BRAF P15056 1/20 0.30

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
SCHEMBL16776388 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2BRAF
SCHEMBL16776387 0.83 PTGS1 (0.35) KMT2AMEN1
SCHEMBL16776394 0.82 FAAH (0.34) BRAF
SCHEMBL19699104 0.80 PIK3CD (0.37) PIK3CAPIK3CD
SCHEMBL16776384 0.79 PRMT5 (0.39) —
SCHEMBL16776383 0.78 DYRK1A (0.35) —
SCHEMBL16776397 0.78 RPS6KA3 (0.40) KMT2AMEN1
SCHEMBL16776393 0.77 AR (0.34) —
SCHEMBL16785562 0.75 RPS6KA3 (0.38) KMT2AMEN1
SCHEMBL16776164 0.73 CYP11B2 (0.37) PIK3CAPIK3CBPIK3CDPIK3CG

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 PIK3CA 3691/4885PIK3CB 2198/4885PIK3CD 3327/4885

“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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