SCHEMBL2134361

SCHEMBL2134361

CCCc1c(Br)cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
DYRK1A Q13627 1/20 0.39
TSHR P16473 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM5A P29375 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL2131306 0.85 DYRK1A (0.41) DYRK1ATSHRHPGDKDM5ANPC1
SCHEMBL27367558 0.83 DYRK1A (0.40) DYRK1ATSHRHPGDKDM4ENPC1
SCHEMBL12490214 0.81 MEN1 (0.42) DYRK1ATSHRMEN1KMT2ANPC1
SCHEMBL2780319 0.79 DYRK1A (0.42) DYRK1ATSHRHPGDKDM4ENPC1
SCHEMBL30568075 0.79 DYRK1A (0.42) DYRK1ATSHRHPGDKDM4ENPC1
SCHEMBL25483123 0.78 TAAR1 (0.39) ALDH1A1DYRK1ATSHRCTSSCTSK
SCHEMBL6457239 0.78 CYP3A4 (0.41) ALDH1A1TSHRHPGDKDM4EGAA
SCHEMBL21910132 0.78 MPO (0.38) ALDH1A1TSHRHPGDKDM4EGAA
SCHEMBL12490313 0.77 DYRK1A (0.41) ALDH1A1DYRK1ATSHRHPGDKDM4E
SCHEMBL21768190 0.77 DYRK1A (0.41) DYRK1ATSHRHPGDKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 ALDH1A1 2923/4885DYRK1A 2598/4885TSHR 223/4885

“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.