SCHEMBL17829862

SCHEMBL17829862

CCN(CC)CCCC(C)Nc1nc(-c2cc(N3CCOCC3)cc(C(F)(F)F)c2)nc2c(C)cccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.44
MELK Q14680 3/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FLT3 P36888 1/20 0.38
HPGD P15428 1/20 0.38
CACNA2D1 P54289 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
SOS1 Q07889 1/20 0.37
CCR2 P41597 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL17829832 0.84 MELK (0.49) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17829842 0.84 CCR4 (0.51) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17829840 0.84 CCR4 (0.54) CCR4MELKFLT3CACNA2D1
SCHEMBL17829846 0.83 CCR4 (0.50) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17829801 0.83 CCR4 (0.53) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17829860 0.81 KCNH2 (0.47) KDM4EALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL17829827 0.81 CCR4 (0.49) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17833285 0.79 MAPT (0.42) KDM4EALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL17829833 0.77 CCR4 (0.49) CCR4MELKKDM4EALDH1A1CYP3A4
SCHEMBL17829823 0.77 CCR4 (0.49) CCR4MELKKDM4EALDH1A1CYP3A4

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 CCR4 4472/4885MELK 1849/4885KDM4E 4525/4885

“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.