SCHEMBL17829907

SCHEMBL17829907

CNCCCNc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2C19 P33261 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2D6 P10635 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH1 P35367 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
ELANE P08246 1/20 0.34
P2RX7 Q99572 3/20 0.34
TLR7 Q9NYK1 2/20 0.34
CYP2C9 P11712 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17829911 0.94 CTNNB1 (0.39) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833270 0.94 CTNNB1 (0.34) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833195 0.94 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833273 0.93 HTR6 (0.36) P2RX7
SCHEMBL17833193 0.90 SRC (0.38) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17829569 0.90 POLB (0.45) MAPK1ALDH1A1CTNNB1TCF7L2
SCHEMBL17833190 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833196 0.87 MAPK1 (0.38) CYP1A2CYP3A4CYP2C19CLK4MAPK1
SCHEMBL17833267 0.85 CTNNB1 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL17829829 0.83 POLB (0.41) MAPK1ALDH1A1

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 CYP1A2 3147/4885CYP3A4 1808/4885CYP2C19 1097/4885

“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.