SCHEMBL13535014

SCHEMBL13535014

Cc1cncc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MAOB P27338 5/20 0.49
GRM5 P41594 1/20 0.48
ALOX5 P09917 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44

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
SCHEMBL8512404 0.87 MAOB (0.56) PDGFRBPDGFRAMAOBALOX5HDAC6
SCHEMBL13535019 0.83 AOC3 (0.54) PDGFRBPDGFRAMAOBALOX5HDAC6
SCHEMBL4538153 0.83 MAOB (0.67) PDGFRBPDGFRAMAOBALOX5MAPT
SCHEMBL14068434 0.82 AKT1 (0.55) MAPK1
SCHEMBL20314429 0.81 MAPK1 (0.49) PDGFRBPDGFRAMAOBALOX5HDAC6
SCHEMBL6582384 0.81 CYP1A2 (0.56) PDGFRBPDGFRAMAOBALOX5HDAC6
SCHEMBL1072784 0.80 GRM5 (0.62) MAOBGRM5ALOX5HDAC6LMNA
SCHEMBL13841458 0.80 GRM5 (0.62) MAOBGRM5ALOX5HDAC6LMNA
SCHEMBL20832869 0.79 APP (0.53) PDGFRBPDGFRAMAOBALOX5HDAC6
SCHEMBL7057444 0.79 CHRNB2 (0.49) PDGFRBPDGFRAMAOBALOX5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed
US-11129827-B2 Dual MAGL and FAAH inhibitors ABIDE THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
EP-3414229-B1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-16 EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
WO-2019053427-A1 HETEROARYL SUBSTITUTED BETA-HYDROXYETHYLAMINES FOR USE IN TREATING HYPERGLYCAEMIA ATROGI AB (SE) 2019-03-21 WO disclosed
WO-2017139274-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-08-17 WO disclosed
US-20170204109-A1 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-20 US disclosed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US 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 (4 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-11129827-B2 Dual MAGL and FAAH inhibitors FAAH, FAAH2, MAG PDGFRB 3248/4885PDGFRA 2920/4885MAOB 46/4885
US-20170204109-A1 Compounds PLAAT2, PLA2G12A, PLA2G1B PDGFRB 3596/4885PDGFRA 3664/4885MAOB 351/4885
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE AFF2, INF2, NPFFR2 PDGFRB 1692/4885PDGFRA 1181/4885MAOB 2078/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 PDGFRB 3724/4885PDGFRA 3888/4885MAOB 3036/4885

“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.