SCHEMBL8953787

SCHEMBL8953787

CCOc1cc(OCC)nc(S(C)(=O)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
SDHB P21912 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL8869963 0.89 LMNA (0.50) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL9432390 0.89 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL9903409 0.85 LMNA (0.58) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL9903210 0.83 LMNA (0.56) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL38662046 0.82 LMNA (0.60) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL9902724 0.82 LMNA (0.55) SMN1; SMN2LMNANPC1PTGS2RAB9A
SCHEMBL9903430 0.80 LMNA (0.53) SMN1; SMN2LMNANPC1MAPK1RAB9A
SCHEMBL2411422 0.79 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL1067726 0.77 SMN1; SMN2 (1.00) SMN1; SMN2LMNAMAPTALDH1A1HSD17B10
SCHEMBL8665287 0.76 ALDH1A1 (0.50) LMNAMAPTALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629135-B2 Pyrimidine derivatives as inhibitors of PD1/PD-L1 activation JUBILANT PRODELL LLC (US) 2023-04-18 US disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
EP-3707135-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC (US) 2020-09-16 EP disclosed
CN-111386265-A Pyrimidine derivatives as inhibitors of PD1/PD-L1 activation 朱比连特普罗德尔有限责任公司 2020-07-07 CN disclosed
CN-105130908-B The preparation method and its synthetic intermediate of the cyano methyl pyrimidine of 4,6 dialkoxy 2 组合化学工业株式会社 2018-03-27 CN disclosed
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
CN-102548972-A Preparation method of 4, 6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL IND CO 2012-07-04 CN 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
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
US-5284820-A Herbicidal substituted cycloalkenes BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0532948-A1 Substituted cycloalkenes as herbicides BAYER AG (DE) 1993-03-24 EP disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 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 (3 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-11629135-B2 Pyrimidine derivatives as inhibitors of PD1/PD-L1 activation PDCD1, CD274, PDCD1LG2 SMN1; SMN2 1987/4885LMNA 1995/4885MAPT 253/4885
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 SMN1; SMN2 1987/4885LMNA 1995/4885MAPT 253/4885
US-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF DPYD, TYMP, DTYMK SMN1; SMN2 2788/4885LMNA 3856/4885MAPT 4817/4885

“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.