SCHEMBL17829909

SCHEMBL17829909

Cc1cccc2c(NCCCN(C)C(=O)OC(C)(C)C)nc(-c3cn(Cc4ccccc4)c4c(Cl)cccc34)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
MCL1 Q07820 1/20 0.37
KDR P35968 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
METAP2 P50579 1/20 0.34
TERT O14746 3/20 0.34
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GBA1 P04062 1/20 0.33
BRD4 O60885 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
SCHEMBL17829569 0.86 POLB (0.45) CTNNB1TCF7L2KDRALDH1A1TERT
SCHEMBL17829907 0.81 CYP1A2 (0.37) P2RX7CTNNB1TCF7L2ALDH1A1CYP1A2
SCHEMBL17829829 0.81 POLB (0.41) KDRALDH1A1TERTPOLB
SCHEMBL17829906 0.80 POLB (0.43) KDRALDH1A1TERTPOLB
SCHEMBL17829796 0.79 POLB (0.45) ALDH1A1TERTPOLB
SCHEMBL17829805 0.78 POLB (0.44) ALDH1A1TERTPOLB
SCHEMBL17829806 0.76 POLB (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17833267 0.76 CTNNB1 (0.38) CTNNB1TCF7L2ALDH1A1CYP1A2CYP3A4
SCHEMBL17833270 0.76 CTNNB1 (0.34) P2RX7CTNNB1TCF7L2ALDH1A1CYP1A2
SCHEMBL17829911 0.76 CTNNB1 (0.39) CTNNB1TCF7L2ALDH1A1CYP1A2CYP3A4

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 2 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
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 P2RX7 185/4885CTNNB1 1062/4885TCF7L2 2862/4885

“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.