SCHEMBL9903777

SCHEMBL9903777

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SDHB P21912 8/20 0.35
NPSR1 Q6W5P4 7/20 0.35
HPGD P15428 6/20 0.35
TP53 P04637 5/20 0.35
KMT2A Q03164 5/20 0.35
HTT P42858 5/20 0.35
STAT3 P40763 4/20 0.35
RAB9A P51151 4/20 0.35
HSD17B10 Q99714 4/20 0.35
STAT1 P42224 2/20 0.35
TLR9 Q9NR96 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 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
SCHEMBL28858783 0.78 LMNA (0.42) LMNASMN1; SMN2PTGS1PTGS2NPSR1
SCHEMBL1067726 0.77 SMN1; SMN2 (1.00) LMNASMN1; SMN2PTGS2NPSR1HPGD
SCHEMBL8953787 0.72 SMN1; SMN2 (0.62) LMNASMN1; SMN2PTGS2SDHBNPSR1
SCHEMBL4433293 0.72 LMNA (0.74) LMNASMN1; SMN2PTGS2SDHBNPSR1
SCHEMBL9902644 0.72 LMNA (0.62) LMNASMN1; SMN2PTGS1PTGS2SDHB
SCHEMBL3825378 0.72 GAA (0.44) SMN1; SMN2PTGS1PTGS2NPSR1HPGD
SCHEMBL38662046 0.71 LMNA (0.60) LMNASMN1; SMN2SDHBNPSR1HPGD
SCHEMBL9329671 0.71 LMNA (0.60) LMNASMN1; SMN2SDHBNPSR1HPGD
SCHEMBL9903569 0.71 SMN1; SMN2 (0.55) LMNASMN1; SMN2PTGS1PTGS2NPSR1
SCHEMBL9905300 0.69 LMNA (0.58) LMNASMN1; SMN2PTGS1PTGS2TLR8

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 10 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
US-9573907-B2 2, 4-pyrimidine derivatives and use thereof SNU R&DB FOUNDATION (KR) 2017-02-21 US disclosed
EP-2497768-B1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF SNU R&DB FOUNDATION (KR) 2016-04-20 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-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-20 US disclosed
EP-2497768-A2 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF SNU R&DB Foundation (KR) 2012-09-12 EP 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 (2 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-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF LY96, AIMP1, NLRP1 LMNA 1256/4885SMN1; SMN2 4581/4885PTGS1 2642/4885
US-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF DPYD, TYMP, DTYMK LMNA 3856/4885SMN1; SMN2 2788/4885PTGS1 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.