SCHEMBL4699100

SCHEMBL4699100

CS(=O)(=O)O.Cc1ncc2n1CCc1c-2[nH]c2ccc(F)cc12

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
BAZ2B Q9UIF8 1/20 0.40
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4704488 0.89 ALDH1A1 (0.46) BCHEACHEMAPK10BAZ2BCYP1A1
SCHEMBL4703977 0.88 CYP1A2 (0.46) BCHEACHEBAZ2BCYP1A1CYP1A2
SCHEMBL4702154 0.88 CYP1A1 (0.46) BCHEACHEMAPK10BAZ2BCYP1A1
SCHEMBL4699148 0.86 BCHE (0.53) BCHEACHECYP1A1CYP1A2CYP1B1
SCHEMBL4701421 0.86 CYP1A2 (0.54) BCHEACHEMAPK10RIPK1BAZ2B
SCHEMBL4699107 0.81 CYP1A2 (0.46) BCHEACHEMAPK10RIPK1CYP1A1
SCHEMBL5943555 0.81 ALDH1A1 (0.50) BCHEACHEMAPK10BAZ2BCYP1A1
SCHEMBL14425117 0.79 CYP1A1 (0.49) BCHEACHEMAPK10BAZ2BCYP1A1
SCHEMBL4699549 0.77 KDM4E (0.35) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL4704080 0.77 CYP1A2 (0.58) ACHEMAPK10RIPK1CYP1A1CYP1A2

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-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP claimed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US claimed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 US claimed
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 EP disclosed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 US disclosed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 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 (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-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine GDI2, GDI1, CYP2A7 BCHE 1627/4885ACHE 1647/4885MAPK10 4590/4885

“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.