SCHEMBL6360647

SCHEMBL6360647

CC(=O)Oc1ccccc1CNc1cccn2c(C)c(C)nc12.CS(=O)(=O)O

nearest known ligand 0.53

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 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.53
CYP2C9 P11712 9/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 3/20 0.53
JAK2 O60674 4/20 0.37
PTK2 Q05397 4/20 0.37
GUCY1B2 O75343 4/20 0.36
GUCY1A2 P33402 4/20 0.36
GUCY1A1 Q02108 4/20 0.36
GUCY1B1 Q02153 4/20 0.36

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
SCHEMBL6354394 0.78 CYP3A4 (0.57) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6352082 0.78 CYP3A4 (0.73) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6360301 0.77 CYP3A4 (0.56) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6360355 0.74 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6356025 0.72 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL7500392 0.72 CYP3A4 (0.88) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6351861 0.71 CYP3A4 (0.64) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2193750 0.71 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6352406 0.70 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6354554 0.70 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 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 (2 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 CYP3A4 2404/4885CYP2C9 3074/4885CYP1A2 1919/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 CYP3A4 2475/4885CYP2C9 3139/4885CYP1A2 2011/4885

“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.