SCHEMBL3425868

SCHEMBL3425868

Cc1cc(Cl)cc(C)c1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
GRM5 P41594 1/20 0.35
NR4A2 P43354 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL3425873 0.79 CES1 (0.34) CCR1CCR5CCR8HDAC8HPGD
SCHEMBL12578985 0.75 NOS3 (0.52) LMNAKDM4EMAPTRAB9ANPC1
SCHEMBL5740853 0.75 ALDH1A1 (0.41) CCR1CCR5CCR8HDAC8GRM5
SCHEMBL2562927 0.74 NOTUM (0.46) HPGDRAB9ANPC1SMN1; SMN2THRB
SCHEMBL31175957 0.73 CLK4 (0.42) LMNAKDM4EMAPTHTTRAB9A
SCHEMBL14886517 0.70 CYP3A4 (0.43) CCR1CCR5CCR8HDAC8MAPT
SCHEMBL27879319 0.70 CYP3A4 (0.47) CCR1CCR5CCR8GRM5NR4A2
SCHEMBL16574215 0.70 IDO1 (0.46) KDM4ERAB9ANPC1SMN1; SMN2THRB
SCHEMBL13910997 0.69 CLK4 (0.42) CCR1CCR5CCR8HDAC8LMNA
SCHEMBL7450182 0.69 CCR1 (0.55) CCR1CCR5CCR8HPGDLMNA

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
US-7731985-B2 4-aminopyrimidines and their use for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
EP-1484971-B1 USE OF 4-AMINOPYRIMIDINES FOR THE ANTIMICROBIAL TREATMENT OF SURFACES CIBA SC HOLDING AG (CH) 2007-07-04 EP disclosed
CN-1642422-A 4-aminopyrimidines and their use in the antimicrobial treatment of surfaces CIBA SC HOLDING AG (CH) 2005-07-20 CN disclosed
US-20050143387-A1 4-Aminopyrimidines and their use for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORP. 2005-06-30 US disclosed
EP-1484971-A1 4-AMINOPYRIMIDINES AND THEIR USE FOR THE ANTIMICROBIAL TREATMENT OF SURFACES Ciba SC Holding AG (CH) 2004-12-15 EP disclosed
WO-2003077656-A1 4-AMINOPYRIMIDINES AND THEIR USE FOR THE ANTIMICROBIAL TREATMENT OF SURFACES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-25 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-20050143387-A1 4-Aminopyrimidines and their use for the antimicrobial treatment of surfaces DPM1, UNG, DPYD CCR1 2215/4885CCR5 2522/4885CCR8 2712/4885

“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.