SCHEMBL2456022

SCHEMBL2456022

c1cc2cc(-c3nnn[nH]3)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
CA2 P00918 9/20 0.39
CA12 O43570 9/20 0.39
CYP2A6 P11509 2/20 0.38
KDM1A O60341 1/20 0.37
CHRNA7 P36544 3/20 0.36
KCNH2 Q12809 3/20 0.36
CSNK2A1 P68400 1/20 0.34
CDC7 O00311 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL2459904 0.87 SIGMAR1 (0.35) DYRK1A
SCHEMBL2460985 0.76 TRPM5 (0.35)
SCHEMBL2456081 0.74 DYRK1A (0.49) DYRK1ACA2CA12CYP2A6KDM1A
SCHEMBL2462570 0.73 ALDH1A1 (0.38) DYRK1A
SCHEMBL670906 0.73 NOTUM (0.42) CA12
SCHEMBL2028396 0.72 ADH5 (0.32)
SCHEMBL2460976 0.71 DYRK1A (0.49) DYRK1ACA2CA12CYP2A6KDM1A
SCHEMBL2462412 0.71 THRB (0.38)
SCHEMBL8784377 0.71 CYP2A6 (0.45) CYP2A6
SCHEMBL703287 0.70 AHR (0.48)

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 4134/4885CA2 4490/4885CA12 3173/4885

“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.