SCHEMBL17829665

SCHEMBL17829665

FC(F)(F)c1cccc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.60
PDPK1 O15530 1/20 0.60
IDO1 P14902 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TTK P33981 2/20 0.59
ALPL P05186 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
MAPK10 P53779 1/20 0.59
TDO2 P48775 1/20 0.58
PIM1 P11309 1/20 0.57
MAP2K4 P45985 4/20 0.55
MAPK1 P28482 3/20 0.55
MAPKAPK3 Q16644 3/20 0.55
MAPK6 Q16659 3/20 0.55
TRPA1 O75762 1/20 0.54
MAPKAPK2 P49137 1/20 0.51
RAB9A P51151 2/20 0.50
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL12318476 0.87 IDO1 (0.58) AURKAPDPK1IDO1KDM4EALDH1A1
SCHEMBL17829604 0.84 MAP2K4 (0.66) PIM1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL2466587 0.82 PIM1 (0.56) AURKAPDPK1TDO2PIM1MAP2K4
SCHEMBL1513026 0.82 IDO1 (0.65) AURKAPDPK1IDO1KDM4EALDH1A1
SCHEMBL699881 0.81 PIM1 (0.52) AURKAPDPK1IDO1KDM4ETDO2
SCHEMBL17829688 0.80 PDPK1 (0.57) PDPK1IDO1KDM4ETDO2PIM1
SCHEMBL5377653 0.79 MAP2K4 (0.73) PDPK1IDO1KDM4EALDH1A1TTK
SCHEMBL1513065 0.79 MAP2K4 (0.70) IDO1KDM4EALDH1A1TTKALPL
SCHEMBL2865013 0.79 LRRK2 (0.57) PDPK1TDO2PIM1MAP2K4MAPK1
SCHEMBL2860957 0.79 AURKA (0.66) AURKAIDO1KDM4EALDH1A1TTK

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 AURKA 3063/4885PDPK1 1349/4885IDO1 4129/4885

“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.