SCHEMBL48673

SCHEMBL48673

CC(=O)NC1=NC(C)(c2ccc(N)cc2)CS1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
KIF11 P52732 6/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CLK1 P49759 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL48744 0.81 PIP4K2A (0.39) ALDH1A1LMNARECQLTDP1
SCHEMBL2343374 0.77 CA2 (0.36) BACE1ALDH1A1KIF11
SCHEMBL4431454 0.69 KIF11 (0.34) KIF11POLBLMNABCHEAPEX1
SCHEMBL3178800 0.65 BACE1 (0.46) BACE1
SCHEMBL10154689 0.65 BACE1 (0.76) BACE1
SCHEMBL1421249 0.64 BACE1 (0.53) BACE1
SCHEMBL1421251 0.64 BACE1 (0.53) BACE1
SCHEMBL15041116 0.62 BACE1 (0.64) BACE1
SCHEMBL92049 0.62 PKM (0.75) ALDH1A1PKMCYP2C19POLBLMNA
SCHEMBL21162019 0.61 POLB (0.47) ALDH1A1PKMCYP2C19POLBRAB9A

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-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B BACE1 3246/4885ALDH1A1 3271/4885PKM 621/4885

“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.