SCHEMBL17829910

SCHEMBL17829910

CNCCCNc1nc(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)nc2c(C)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTSK P43235 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
RAD52 P43351 1/20 0.40
ABCG2 Q9UNQ0 7/20 0.39
UBE2N P61088 1/20 0.39
ACP1 P24666 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 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
SCHEMBL17833235 0.96 SYK (0.43) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833277 0.92 SYK (0.37) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833283 0.91 SYK (0.40) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833268 0.90 SYK (0.56) SYKKDM4EALDH1A1GAAKMT2A
SCHEMBL17833161 0.89 KMT2A (0.40) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833274 0.89 SYK (0.39) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833162 0.89 SYK (0.39) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17829802 0.88 RAD52 (0.54) SYKKCNH2KDM4EALDH1A1GAA
SCHEMBL17833238 0.88 TNKS (0.41) SYKCTSKKCNH2KDM4EALDH1A1
SCHEMBL17833278 0.87 CYP11B2 (0.38) SYKKDM4EALDH1A1KMT2ARAD52

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 SYK 2159/4885CTSK 456/4885KCNH2 3167/4885

“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.