SCHEMBL3425873

SCHEMBL3425873

Cc1cc(Cl)cc(-c2ncccn2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCR9 P51686 1/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN4A P35499 4/20 0.33
CYP19A1 P11511 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL16574215 0.80 IDO1 (0.46) CYP3A4CCR9KDM4ECYP19A1RAB9A
SCHEMBL3425868 0.79 CCR1 (0.38) CYP3A4CCR1CCR8CCR5LMNA
SCHEMBL2562927 0.76 NOTUM (0.46) CCR9HPGDCYP19A1RAB9ANPC1
SCHEMBL3201695 0.71 ALDH1A1 (0.46) CYP3A4CCR9CCR1CCR8CCR5
SCHEMBL8975178 0.69 TSHR (0.47) CES1CYP3A4SCN4AALOX15
SCHEMBL24980950 0.69 CNR1 (0.39) CES1MAPTKDM4ESCN4ARAB9A
SCHEMBL16806048 0.68 CYP1A2 (0.42) CYP3A4MAPTKDM4ERAB9ANPC1
SCHEMBL16787397 0.67 KMT2A (0.46) CYP3A4CCR1CCR8CCR5LMNA
Ammonia Solution, Strong SCHEMBL27685788 0.67 CYP1A2 (0.41) CYP3A4MAPTKDM4ERAB9ANPC1
SCHEMBL28434186 0.67 ESR2 (0.49)

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 CES1 3205/4885CYP3A4 298/4885CCR9 2159/4885

“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.