SCHEMBL4289

SCHEMBL4289

Brc1cccc(-n2cccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.44
MAPK1 P28482 2/20 0.44
ADORA2A P29274 4/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ALOX5 P09917 1/20 0.41
NOTUM Q6P988 1/20 0.40
LMNA P02545 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
GRM5 P41594 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL30261053 1.00 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL199306 0.86 ALDH1A1 (0.65) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL28812535 0.84 ALDH1A1 (0.63) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL31519065 0.84 ALDH1A1 (0.63) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL31653378 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL31517328 0.77 ALDH1A1 (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL13822150 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL13473987 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL3570306 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A
SCHEMBL28030385 0.77 KDM4E (0.50) KDM4EALDH1A1NPC1MAPK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117418280-A Nickel spraying plating solution, preparation method and electroplating method 昆山一鼎工业科技有限公司 2024-01-19 CN claimed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN claimed
CN-117418280-A Nickel spraying plating solution, preparation method and electroplating method 昆山一鼎工业科技有限公司 2024-01-19 CN disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
EP-3223820-B1 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-07-22 EP disclosed
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2020-02-04 US disclosed
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-04-25 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US disclosed
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 WO disclosed
WO-2009145360-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-12-03 WO disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
WO-2009111299-A2 TRIDENTATE PLATINUM (II) COMPLEXES ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-09-11 WO disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN 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 (7 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM KDM4E 3902/4885ALDH1A1 2649/4885NPC1 1253/4885
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 KDM4E 1720/4885ALDH1A1 1307/4885NPC1 3329/4885
US-10550102-B2 Indane and indoline derivatives and the use thereof as soluble guanylate cyclase activators GUCY1A2, GUCY1A1, PDE3A KDM4E 2747/4885ALDH1A1 1087/4885NPC1 2359/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH KDM4E 4351/4885ALDH1A1 4726/4885NPC1 2391/4885
US-20190119254-A1 INDANE AND INDOLINE DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE3A KDM4E 2747/4885ALDH1A1 1087/4885NPC1 2359/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH KDM4E 4351/4885ALDH1A1 4726/4885NPC1 2391/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 KDM4E 1720/4885ALDH1A1 1307/4885NPC1 3329/4885

“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.