SCHEMBL2459657

SCHEMBL2459657

c1cc(-c2ccc3ncsc3c2)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
RIPK1 Q13546 1/20 0.46
TGFBR1 P36897 11/20 0.44
APP P05067 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BMPR1A P36894 1/20 0.41
SMAD2 Q15796 1/20 0.41
VRK1 Q99986 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2462862 0.87 DYRK1A (0.41) DYRK1ARIPK1TGFBR1ALDH1A1HSD17B10
SCHEMBL31214345 0.84 DYRK1A (0.72) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL2457178 0.75 DYRK1A (0.54) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL6032917 0.75 DYRK1A (0.62) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL27558183 0.74 DYRK1A (0.60) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL16573976 0.74 DYRK1A (0.60) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL6658073 0.74 DYRK1A (0.60) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL22130152 0.74 DYRK1A (0.70) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL2455990 0.73 ALDH1A1 (0.36) DYRK1ANPC1RAB9AALDH1A1CYP1A2
SCHEMBL17691820 0.72 DYRK1A (0.63) DYRK1ARIPK1TGFBR1APPKDM4E

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 DYRK1A 4134/4885RIPK1 3658/4885TGFBR1 304/4885

“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.