SCHEMBL17829901

SCHEMBL17829901

Cc1ccc(C)c2c(NCCCN(C)C)nc(-c3cc(Br)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
RAD52 P43351 4/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
PRKCI P41743 1/20 0.38
FLT3 P36888 2/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CHEK1 O14757 1/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL17833153 0.88 PRKCI (0.36) KCNH2PRKCICHEK1S1PR1S1PR3
SCHEMBL17829914 0.88 ALDH1A1 (0.47) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829836 0.87 RAD52 (0.48) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829951 0.85 RAD52 (0.41) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829902 0.84 RAD52 (0.45) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829879 0.83 RAD52 (0.42) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829870 0.83 ALDH1A1 (0.47) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829871 0.82 ALDH1A1 (0.47) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829880 0.81 POLB (0.42) KCNH2RAD52KMT2AALDH1A1MAPK1
SCHEMBL17829865 0.81 ALDH1A1 (0.46) KCNH2RAD52KMT2AALDH1A1MAPK1

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 KCNH2 3167/4885RAD52 1940/4885KMT2A 4559/4885

“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.