SCHEMBL5013241

SCHEMBL5013241

c1cnc2c(ccc3[nH]ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ADRA2A P08913 4/20 0.40
ADRA2C P18825 3/20 0.40
PSMD14 O00487 1/20 0.40
PIK3CD O00329 1/20 0.38
TRPA1 O75762 2/20 0.37
AHR P35869 1/20 0.36
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.35
PRKCI P41743 3/20 0.34
LMNA P02545 1/20 0.34
AXL P30530 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL6305468 0.77 KDM4E (0.47) PSMD14PIK3CDTGFBR1KDM4EMAPT
SCHEMBL24785626 0.77 PIK3CD (0.53) PSMD14PIK3CDAHRKDM4EMAPT
SCHEMBL27859219 0.76 MAPT (0.61) PSMD14PIK3CDAHRKDM4EMAPT
Hydrochloric Acid SCHEMBL28303133 0.75 MAPT (0.59) PSMD14PIK3CDAHRKDM4EMAPT
SCHEMBL4159053 0.72 LMNA (0.56) PSMD14PIK3CDTRPA1AHRKDM4E
SCHEMBL168621 0.72 MEN1 (0.53) ADRA2AADRA2CKDM4EMAPTMEN1
SCHEMBL30335572 0.71 MAPT (0.50) MAPK1ADRA2AADRA2CKDM4EMAPT
SCHEMBL87693 0.71 MAPT (0.50) MAPK1ADRA2AADRA2CKDM4EMAPT
SCHEMBL29463681 0.71 MAPT (0.50) MAPK1ADRA2AADRA2CKDM4EMAPT
SCHEMBL2398840 0.71 AHR (0.52) MAPK1PIK3CDTRPA1AHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383774-B1 DIHYDROIMIDAZO¬4,5-E INDOLE AND 7H-PYRROLO¬3,2-F QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2008-05-07 EP disclosed
US-7279496-B2 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-10-09 US disclosed
EP-1513839-B1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH AS (DK) 2006-07-26 EP disclosed
US-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-1383774-A2 DIHYDROIMIDAZO[4,5-E]INDOLE AND 7H-PYRROLO[3,2-F]QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-01-28 EP disclosed
WO-2002088143-A2 DIHYDROIMIDAZO[4,5-E]INDOLE AND 7H-PYRROLO[3,2-F]QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 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 (1 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-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands CHRNA5, HTR5A, CHRNA4 MAPK1 3595/4885ADRA2A 200/4885ADRA2C 182/4885

“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.