SCHEMBL17829693

SCHEMBL17829693

Clc1ccc2[nH]nc(-c3cccc4ccccc34)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
FADS1 O60427 2/20 0.46
ITK Q08881 3/20 0.43
IDO1 P14902 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.43
ROCK1 Q13464 1/20 0.41
JAK2 O60674 2/20 0.41
DCLK1 O15075 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CSF1R P07333 1/20 0.41
FER P16591 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL17829687 0.90 IDO1 (0.47) HTR2AFADS1ITKIDO1KDM4E
SCHEMBL2188838 0.82 KDM4E (0.58) ITKIDO1KDM4EMEN1CASP1
SCHEMBL30316649 0.82 KDM4E (0.58) ITKIDO1KDM4EMEN1CASP1
SCHEMBL30681831 0.82 KDM4E (0.58) ITKIDO1KDM4EMEN1CASP1
SCHEMBL5372727 0.79 ITK (0.63) ITKSLK
SCHEMBL11836042 0.78 MAP4K4 (0.65) HTR2AFADS1IDO1KDM4EMEN1
SCHEMBL5382096 0.77 MAPT (0.67) KDM4EMEN1KMT2AROCK1MAP4K4
SCHEMBL5381375 0.77 MAP2K4 (0.54) ITKJAK2FLT3CSNK1DJAK1
SCHEMBL27576009 0.76 ITK (0.43) ITKTTKAURKA
SCHEMBL17829680 0.76 MKNK1 (0.59) HTR2AFADS1IDO1KDM4EMEN1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 HTR2A 3781/4885FADS1 4494/4885ITK 2269/4885

“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.