SCHEMBL15087883

SCHEMBL15087883

COCc1cc(-c2ccnc(Cl)n2)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.37
DYRK1A Q13627 5/20 0.34
CLK4 Q9HAZ1 5/20 0.34
CLK1 P49759 3/20 0.34
DYRK1B Q9Y463 3/20 0.34
CLK2 P49760 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2A7 P20853 1/20 0.34
CYP3A7 P24462 1/20 0.34
CYP2F1 P24903 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
SCHEMBL1108281 0.84 KMO (0.36) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL1097916 0.81 KMO (0.36) DAODYRK1ACLK4CLK1DYRK1B
SCHEMBL1099663 0.81 KMO (0.30) KMO
SCHEMBL15087906 0.75 AAK1 (0.34) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL15577810 0.75 DYRK1A (0.46) DYRK1ACLK4CLK1DYRK1BCLK2
SCHEMBL15087867 0.74 PDE5A (0.38) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL15087879 0.73 DYRK1A (0.44) DYRK1ACLK4CLK1DYRK1BKMO
SCHEMBL1097124 0.70 KMO (0.36) CYP2A6KMOAAK1
SCHEMBL15087871 0.70 DPP4 (0.44) DYRK1ACLK4CLK2CYP1A2CYP2E1
SCHEMBL16245868 0.68 CYP1A1 (0.70) DYRK1ACLK4CLK1DYRK1BCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS, INC. (US) 2013-07-04 US 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-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 DAO 942/4885DYRK1A 940/4885CLK4 1625/4885

“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.