SCHEMBL17829946

SCHEMBL17829946

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.47
STK17A Q9UEE5 3/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HMOX1 P09601 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17833279 0.90 CTNNB1 (0.37) SYKHMOX1CTNNB1TCF7L2KDM4E
SCHEMBL17829899 0.90 SYK (0.36) SYKHMOX1CTNNB1TCF7L2KDM4E
SCHEMBL17829836 0.89 RAD52 (0.48) SYKALDH1A1
SCHEMBL17829952 0.89 SYK (0.49) SYKROCK2ROCK1KDM4EALDH1A1
SCHEMBL17829902 0.88 RAD52 (0.45) SYKALDH1A1
SCHEMBL17829586 0.87 POLB (0.48) KDM4EALDH1A1GAA
SCHEMBL17829891 0.86 RAD52 (0.44) CTNNB1TCF7L2ALDH1A1
SCHEMBL17833268 0.86 SYK (0.56) SYKROCK2ROCK1KDM4EALDH1A1
SCHEMBL17829581 0.85 MAPT (0.43) KDM4EALDH1A1
SCHEMBL17829583 0.85 ACP1 (0.49) KDM4EALDH1A1

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 2159/4885STK17A 238/4885ROCK2 4734/4885

“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.