SCHEMBL2462862

SCHEMBL2462862

c1cc(-c2ccc3scnc3c2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
RIPK2 O43353 9/20 0.40
KDR P35968 6/20 0.40
TGFBR1 P36897 6/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40
FASN P49327 1/20 0.39
PIK3CD O00329 1/20 0.38
RIPK3 Q9Y572 3/20 0.38
MAP3K11 Q16584 2/20 0.37
LCK P06239 5/20 0.36
RIPK1 Q13546 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2459657 0.87 DYRK1A (0.55) DYRK1ATGFBR1ALDH1A1HSD17B10FFAR1
SCHEMBL28048502 0.84 ALDH1A1 (0.54) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL2461252 0.75 ACVR1 (0.44) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL29478085 0.75 RIPK2 (0.60) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL927048 0.75 RIPK2 (0.60) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL1852870 0.74 FFAR1 (0.48) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL6650934 0.74 FFAR1 (0.48) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL13394464 0.74 DYRK1A (0.51) DYRK1ARIPK2KDRTGFBR1EGFR
SCHEMBL2457772 0.73 THRB (0.39) ALDH1A1
SCHEMBL13394547 0.73 NPC1 (0.50) DYRK1ATGFBR1MAP3K11

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 4134/4885RIPK2 3574/4885KDR 80/4885

“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.