SCHEMBL17829952

SCHEMBL17829952

Cc1cccc2c(NCCCN)nc(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.49
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ACP1 P24666 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL17833268 0.90 SYK (0.56) SYKROCK2ROCK1RAD52KMT2A
SCHEMBL17829915 0.90 GBA1 (0.40) SYKACP1RAD52KMT2AALDH1A1
SCHEMBL17829576 0.89 RAD52 (0.55) ACP1RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829946 0.89 SYK (0.47) SYKROCK2ROCK1ALDH1A1KDM4E
SCHEMBL17833287 0.88 SYK (0.44) SYKROCK2ROCK1RAD52KMT2A
SCHEMBL17829950 0.86 TLR9 (0.53) ACP1RAD52KMT2AALDH1A1MAPK1
SCHEMBL17833238 0.85 TNKS (0.41) SYKACP1RAD52KMT2AALDH1A1
SCHEMBL17833235 0.85 SYK (0.43) SYKACP1RAD52KMT2AALDH1A1
SCHEMBL17829956 0.84 SYK (0.47) SYKROCK2ROCK1RAD52KMT2A
SCHEMBL17829844 0.83 RAD52 (0.48) SYKRAD52KMT2AALDH1A1MAPK1

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 2159/4885ROCK2 4734/4885ROCK1 4704/4885

“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.