SCHEMBL1108281

SCHEMBL1108281

CCc1cc(-c2ccnc(Cl)n2)co1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.36
AAK1 Q2M2I8 3/20 0.32
DYRK1A Q13627 5/20 0.32
CLK4 Q9HAZ1 5/20 0.32
CLK1 P49759 4/20 0.32
CLK2 P49760 3/20 0.32
DYRK1B Q9Y463 3/20 0.32
SREBF2 Q12772 2/20 0.31
KDM4E B2RXH2 2/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP4B1 P13584 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP3A5 P20815 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
SCHEMBL1097916 0.85 KMO (0.36) KMOAAK1DYRK1ACLK4CLK1
SCHEMBL15087883 0.84 DAO (0.37) KMOAAK1DYRK1ACLK4CLK1
SCHEMBL1099663 0.76 KMO (0.30) KMO
SCHEMBL1108279 0.73 ALDH1A1 (0.37) KMOAAK1SREBF2KDM4ELMNA
SCHEMBL1097124 0.73 KMO (0.36) KMOAAK1CYP2A6ALDH1A1
SCHEMBL1108277 0.72 DNMT1 (0.36) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL1108271 0.71 IDO1 (0.48) KMODYRK1ACLK4CLK1DYRK1B
SCHEMBL18179480 0.70 KMO (0.45) KMOAAK1KDM4EMAPTALDH1A1
SCHEMBL7544652 0.68 KMO (0.69) KMODYRK1ACLK4CLK1CLK2
SCHEMBL13294776 0.68 MAPT (0.40) KMOCLK4CYP1A2CYP3A4CYP2D6

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
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 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 (4 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-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KMO 1161/4885AAK1 996/4885DYRK1A 940/4885
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KMO 1161/4885AAK1 996/4885DYRK1A 940/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KMO 1161/4885AAK1 996/4885DYRK1A 940/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 KMO 1161/4885AAK1 996/4885DYRK1A 940/4885

“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.