SCHEMBL5867424

SCHEMBL5867424

CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1.CS(=O)(=O)O

nearest known ligand 0.94

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 5)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.94
CYP3A4 P08684 9/20 0.94
CYP2D6 P10635 2/20 0.80
CYP1A2 P05177 1/20 0.80
CYP2C9 P11712 1/20 0.80

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
SCHEMBL4414064 0.97 PLA2G7 (1.00) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5867475 0.96 PLA2G7 (0.99) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Fumaric Acid SCHEMBL5867372 0.93 PLA2G7 (0.92) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Cadaverine Tartrate SCHEMBL5867362 0.93 PLA2G7 (0.92) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4417165 0.93 PLA2G7 (1.00) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4415584 0.91 PLA2G7 (0.88) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4416238 0.91 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4419834 0.91 PLA2G7 (1.00) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL4412744 0.90 PLA2G7 (0.87) PLA2G7CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4411693 0.90 PLA2G7 (1.00) PLA2G7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 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-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 PLA2G7 43/4885CYP3A4 1555/4885CYP2D6 999/4885

“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.