SCHEMBL9903198

SCHEMBL9903198

CS(=O)(=O)c1nc(OC2CCCCC2)cc(OC2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 6/20 0.45
TLR8 Q9NR97 1/20 0.44
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
PTGS2 P35354 4/20 0.39
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
GSK3B P49841 1/20 0.37
CYP19A1 P11511 2/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9902465 0.98 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPTGS1TLR8PDGFRB
SCHEMBL9903034 0.95 LMNA (0.55) SMN1; SMN2LMNAPTGS1TLR8PDGFRB
SCHEMBL9905300 0.91 LMNA (0.58) SMN1; SMN2LMNAPTGS1TLR8PDGFRB
SCHEMBL28211078 0.80 LOX (0.41) SMN1; SMN2LMNAPTGS1PDGFRBPDGFRA
SCHEMBL1067726 0.70 SMN1; SMN2 (1.00) SMN1; SMN2LMNAPTGS2ALDH1A1CYP1A2
SCHEMBL9309427 0.69 PDGFRB (0.41) PTGS1PDGFRBPDGFRALOXLOXL2
SCHEMBL31403712 0.67 LOX (0.40) PTGS1PDGFRBPDGFRALOXLOXL2
SCHEMBL19890923 0.67 PDGFRB (0.43) SMN1; SMN2LMNAPDGFRBPDGFRALOX
SCHEMBL24156612 0.66 PTGS1 (0.38) PTGS1PDGFRBPDGFRACYP19A1
SCHEMBL30252998 0.66 PTGS1 (0.38) PTGS1PDGFRBPDGFRACYP19A1

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
EP-2463277-B1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-11-08 EP disclosed
CN-105130908-A Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL IND CO 2015-12-09 CN disclosed
CN-102548972-B Preparation method of 4, 6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) 2015-08-19 CN disclosed
US-8748605-B2 Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-10 US disclosed
US-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2012-07-26 US disclosed
EP-2463277-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-06-13 EP 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-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF DPYD, TYMP, DTYMK SMN1; SMN2 2788/4885LMNA 3856/4885PTGS1 1571/4885

“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.