SCHEMBL319482

SCHEMBL319482

N#Cc1cc(F)cc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
MAOB P27338 2/20 0.36
GRM5 P41594 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
SCHEMBL30335660 1.00 LOXL2 (0.48) LOXL2MAOBGRM5
SCHEMBL17817823 0.84 LOXL2 (0.58) LOXL2
SCHEMBL22506807 0.84 LOXL2 (0.58) LOXL2
SCHEMBL23536734 0.84 TAAR1 (0.46) LOXL2MAOB
SCHEMBL15018403 0.79 VNN1 (0.36) GRM5
SCHEMBL20560376 0.79 GRIN1 (0.36) GRM5
SCHEMBL5222310 0.79 IDO1 (0.38) GRM5
SCHEMBL319504 0.79 GRM5 (0.35) GRM5
SCHEMBL16950313 0.79 GRM5 (0.35) GRM5
SCHEMBL14626265 0.79 GRM5 (0.35) MAOBGRM5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023051753-A1 PREPARATION METHOD FOR ROCK INHIBITOR, INTERMEDIATE THEREOF AND PREPARATION METHOD FOR INTERMEDIATE 武汉朗来科技发展有限公司 2023-04-06 WO disclosed
CN-115894463-A Preparation method of ROCK inhibitor, intermediate thereof and preparation method of intermediate 武汉朗来科技发展有限公司 2023-04-04 CN disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 CN disclosed
EP-3887359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2021-10-06 EP disclosed
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
EP-2590956-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS Merck Serono S.A. (CH) 2013-05-15 EP disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO 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 (6 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 LOXL2 1005/4885MAOB 2943/4885GRM5 216/4885
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 LOXL2 3241/4885MAOB 1475/4885GRM5 166/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 LOXL2 3013/4885MAOB 1265/4885GRM5 381/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 LOXL2 1791/4885MAOB 743/4885GRM5 4595/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 LOXL2 3013/4885MAOB 1265/4885GRM5 381/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 LOXL2 3013/4885MAOB 1265/4885GRM5 381/4885

“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.