SCHEMBL4012671

SCHEMBL4012671

CCN1/C(=C/C(C)=O)Sc2ccc(Br)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 9/20 0.74
DYRK1A Q13627 9/20 0.74
CSNK1E P49674 3/20 0.74
CLK3 P49761 3/20 0.74
DYRK1B Q9Y463 3/20 0.74
CLK2 P49760 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
DYRK3 O43781 1/20 0.74
GSK3B P49841 1/20 0.74
DYRK2 Q92630 1/20 0.74
DYRK4 Q9NR20 1/20 0.74
MAPT P10636 4/20 0.69
ALDH1A1 P00352 4/20 0.69
HSD17B10 Q99714 3/20 0.69
HPGD P15428 3/20 0.69
HTT P42858 3/20 0.69
PIM1 P11309 2/20 0.69
CSNK1D P48730 2/20 0.69
CSNK1G2 P78368 2/20 0.69
MAP3K19 Q56UN5 2/20 0.69

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
SCHEMBL18166903 1.00 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL29772696 0.85 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL30754671 0.85 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL16075921 0.85 CLK1 (0.76) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL5707661 0.85 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL5707659 0.85 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4011674 0.85 CLK1 (1.00) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4013240 0.84 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL4016027 0.84 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B
SCHEMBL18166904 0.84 CLK1 (0.74) CLK1DYRK1ACSNK1ECLK3DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255411-A1 METHOD FOR ENHANCING INNATE IMMUNE RESPONSE 国立大学法人京都大学 2022-12-08 WO disclosed
EP-3085698-B1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION UNIV KYOTO (JP) 2019-11-13 EP disclosed
EP-3085698-B1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION UNIV KYOTO (JP) 2019-11-13 EP disclosed
US-9745275-B2 Pain-related compound and medical composition KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-9745275-B2 Pain-related compound and medical composition KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-9745275-B2 Pain-related compound and medical composition KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION KYOTO UNIVERSITY (JP) 2017-02-02 US disclosed
US-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION KYOTO UNIVERSITY (JP) 2017-02-02 US disclosed
US-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION KYOTO UNIVERSITY (JP) 2017-02-02 US disclosed
EP-3085698-A1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION Kyoto University (JP) 2016-10-26 EP disclosed
EP-3085698-A1 PAIN-RELATED COMPOUND AND MEDICINAL COMPOSITION Kyoto University (JP) 2016-10-26 EP disclosed
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 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-20170029389-A1 PAIN-RELATED COMPOUND AND MEDICAL COMPOSITION OPRL1, TRPV1, P2RY11 CLK1 3542/4885DYRK1A 2941/4885CSNK1E 562/4885

“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.