SCHEMBL2457484

SCHEMBL2457484

c1nnc(-c2ccc3ncsc3c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
TGFBR1 P36897 10/20 0.45
BMPR1A P36894 1/20 0.45
SMAD2 Q15796 1/20 0.45
RIPK1 Q13546 1/20 0.44
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK14 Q16539 1/20 0.38
PFKFB3 Q16875 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CLK1 P49759 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37

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
SCHEMBL2465123 0.88 ALDH1A1 (0.38) DYRK1ATGFBR1BMPR1ASMAD2ALDH1A1
SCHEMBL2461193 0.76 ALDH1A1 (0.35) DYRK1ANPC1RAB9AALDH1A1CLK1
SCHEMBL2461409 0.76 DYRK1A (0.50) DYRK1ATGFBR1BMPR1ASMAD2RIPK1
SCHEMBL2458528 0.75 DYRK1A (0.49) DYRK1ATGFBR1BMPR1ASMAD2RIPK1
SCHEMBL2458769 0.72 RIPK1 (0.50) DYRK1ATGFBR1BMPR1ASMAD2RIPK1
SCHEMBL2456081 0.70 DYRK1A (0.49) DYRK1ACSNK2A1
SCHEMBL2457852 0.70 PFKFB3 (0.55) DYRK1ATGFBR1BMPR1ASMAD2RIPK1
SCHEMBL6032917 0.69 DYRK1A (0.62) DYRK1ATGFBR1BMPR1ASMAD2RIPK1
SCHEMBL2461089 0.69 DYRK1A (0.49) DYRK1ANPC1RAB9ACLK1DYRK2
SCHEMBL21895590 0.69 NPC1 (0.56) DYRK1ARIPK1KDM4ENPC1RAB9A

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 4134/4885TGFBR1 304/4885BMPR1A 941/4885

“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.