SCHEMBL2457682

SCHEMBL2457682

c1c[nH]c(-c2ccc3sncc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MTOR P42345 2/20 0.43
ADK P55263 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TRPM5 Q9NZQ8 9/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PIK3CA P42336 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
ADRA2A P08913 1/20 0.35
TRPA1 O75762 1/20 0.35
PARP1 P09874 1/20 0.33
BRD4 O60885 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
SCHEMBL2457802 0.88 NISCH (0.45) NISCHMTORADKKDM4EALDH1A1
SCHEMBL26260184 0.77 NISCH (0.59) NISCHMTORADKKDM4EALDH1A1
SCHEMBL2460976 0.76 DYRK1A (0.49) NISCHMTORADKKDM4EALDH1A1
SCHEMBL26260204 0.76 NISCH (0.57) NISCHMTORADKKDM4EALDH1A1
SCHEMBL2459132 0.73 ABL1 (0.40) MTORTRPM5PIK3CATRPA1
SCHEMBL2460985 0.72 TRPM5 (0.35) MTORTRPM5PIK3CATRPA1
SCHEMBL2458388 0.72 NISCH (0.45) NISCHMTORADKKDM4EALDH1A1
SCHEMBL534893 0.71 NISCH (0.60) NISCHMTORADKKDM4EALDH1A1
SCHEMBL29613953 0.71 NISCH (0.60) NISCHMTORADKKDM4EALDH1A1
SCHEMBL2464029 0.71 PIK3CA (0.37) MTORTRPM5CYP1A2CYP3A4CYP2D6

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 NISCH 3681/4885MTOR 657/4885ADK 1789/4885

“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.