SCHEMBL4153041

SCHEMBL4153041

[CH2]c1cc2c(cn1)CCCO2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NOTUM Q6P988 1/20 0.33
RIPK1 Q13546 1/20 0.33
KCNH2 Q12809 2/20 0.33
OGA O60502 1/20 0.32
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
USP9X Q93008 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL4143011 0.85 DYRK1A (0.38) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL4129137 0.79 SMN1; SMN2 (0.34)
SCHEMBL23087988 0.78 CTNNB1 (0.34) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL4135619 0.78 CTNNB1 (0.34) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL3019556 0.74 MAPT (0.36)
SCHEMBL9923673 0.74 CLK1 (0.36) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL4141582 0.74 CTNNB1 (0.37) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL23088197 0.74 ALK (0.32) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL10313886 0.74 CTNNB1 (0.37) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL23088151 0.74 CTNNB1 (0.35) CLK1DYRK1ADYRK1BCTNNB1WNT3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (2 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CLK1 2418/4885DYRK1A 2955/4885DYRK1B 3163/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CLK1 2503/4885DYRK1A 2841/4885DYRK1B 3047/4885

“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.