SCHEMBL2464029

SCHEMBL2464029

c1cc(-c2ccc3sncc3c2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
TRPM5 Q9NZQ8 15/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPA1 O75762 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2458951 0.87 TRPM5 (0.35) TRPM5SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL2461294 0.77 AKT2 (0.43) PIK3CAMTORTRPM5
SCHEMBL26260180 0.73 CYP1A2 (0.46) CHEK1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL2462909 0.72 DYRK1A (0.53)
SCHEMBL2459132 0.72 ABL1 (0.40) PIK3CAMTORTRPM5SLC6A2SLC6A4
SCHEMBL26260213 0.72 ESR1 (0.41) CHEK1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL2457682 0.71 NISCH (0.45) PIK3CAMTORTRPM5TRPA1CYP1A2
SCHEMBL18608517 0.70 KIF11 (0.43) PIK3CAMTORTRPM5
SCHEMBL2457772 0.70 THRB (0.39)
SCHEMBL2462312 0.69 CYP11B1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 WO 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET PIK3CA 3035/4885MTOR 657/4885TRPM5 4109/4885

“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.