SCHEMBL9903569

SCHEMBL9903569

CCC(C)Oc1cc(OC(C)CC)nc(S(C)(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADORA3 P0DMS8 3/20 0.36
KDM4E B2RXH2 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL9902644 0.82 LMNA (0.62) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL9329671 0.77 LMNA (0.60) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL8953787 0.74 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL9903409 0.71 LMNA (0.58) SMN1; SMN2LMNANPSR1ALDH1A1ADORA3
SCHEMBL1067726 0.71 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL9432915 0.71 LMNA (0.73) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL9903777 0.71 LMNA (0.62) SMN1; SMN2LMNANPSR1ALDH1A1KDM4E
SCHEMBL9903210 0.70 LMNA (0.56) SMN1; SMN2LMNAALDH1A1PTGS1PTGS2
SCHEMBL6643049 0.69 LMNA (0.63) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL31403774 0.69 NPC1 (0.42) SMN1; SMN2LMNAALDH1A1ADORA3GABRP

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 3856/4885NPSR1 4492/4885

“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.