SCHEMBL1108271

SCHEMBL1108271

CCc1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
LRRK2 Q5S007 1/20 0.42
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 1/20 0.41
KMO O15229 4/20 0.41
KARS1 Q15046 2/20 0.40
CLK1 P49759 1/20 0.40
PLK1 P53350 1/20 0.40
BCL2 P10415 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL977647 0.84 PRKCI (0.50) KMO
SCHEMBL1467440 0.84 DYRK1A (0.44) DYRK1ACLK4DYRK1BKMOKARS1
SCHEMBL15087879 0.84 DYRK1A (0.44) DYRK1ACLK4DYRK1BKMOKARS1
SCHEMBL2759531 0.83 IDO1 (0.49) IDO1CTSSCTSKNISCHLRRK2
SCHEMBL5750187 0.82 KMO (0.43) DYRK1ACLK4DYRK1BKMOKARS1
SCHEMBL1468172 0.81 DYRK1A (0.44) DYRK1ACLK4DYRK1BKMOKARS1
SCHEMBL3023148 0.81 MMP3 (0.47) CTSSCTSKLRRK2DYRK1ACLK4
SCHEMBL19766402 0.81 KMO (0.39) DYRK1ACLK4DYRK1BKMOKARS1
SCHEMBL1466126 0.80 MAP4K4 (0.55) DYRK1ACLK4DYRK1BKARS1CLK1
SCHEMBL1467441 0.80 KARS1 (0.46) DYRK1ACLK4DYRK1BKMOKARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189060-B1 DERIVATIVES OF MACROCYCLIC N-ARYL-2-AMINO-4-ARYL-PYRIMIDINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PF MEDICAMENT (FR) 2018-06-20 EP disclosed
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 IDO1 1864/4885CTSS 3916/4885CTSK 3227/4885
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 IDO1 1864/4885CTSS 3916/4885CTSK 3227/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 IDO1 1864/4885CTSS 3916/4885CTSK 3227/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 IDO1 1864/4885CTSS 3916/4885CTSK 3227/4885

“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.