SCHEMBL17829911

SCHEMBL17829911

CNCCCNc1nc(-c2cn(Cc3ccc(Cl)cc3)c3c(Cl)cccc23)nc2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.39
TCF7L2 Q9NQB0 3/20 0.39
SRC P12931 2/20 0.34
FYN P06241 1/20 0.34
FLT3 P36888 1/20 0.34
TRPA1 O75762 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
SLC2A1 P11166 1/20 0.33
MAPK1 P28482 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ESR1 P03372 1/20 0.32
CDK9 P50750 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17833270 0.95 CTNNB1 (0.34) CTNNB1TCF7L2SRCKMT2AMEN1
SCHEMBL17829907 0.94 CYP1A2 (0.37) CTNNB1TCF7L2KDM4ECYP1A2CYP3A4
SCHEMBL17833273 0.92 HTR6 (0.36) MAPTCDK9
SCHEMBL17833267 0.91 CTNNB1 (0.38) CTNNB1TCF7L2SRCFYNFLT3
SCHEMBL17833195 0.87 CYP1A2 (0.39) SRCFYNKMT2AMEN1POLB
SCHEMBL17833193 0.84 SRC (0.38) SRCFYNFLT3POLBMAPT
SCHEMBL17829569 0.83 POLB (0.45) CTNNB1TCF7L2FLT3KMT2AMEN1
SCHEMBL17833190 0.83 CYP1A2 (0.48) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL17829829 0.82 POLB (0.41) FLT3KMT2AMEN1POLBMAPK1
SCHEMBL17833196 0.81 MAPK1 (0.38) KMT2AMEN1KDM4ECYP1A2CYP3A4

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 CTNNB1 1062/4885TCF7L2 2862/4885SRC 2271/4885

“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.