SCHEMBL5060652

SCHEMBL5060652

O=C(NSc1ccc(Br)cc1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.48
CYP3A4 P08684 2/20 0.47
P2RY6 Q15077 1/20 0.47
P2RY14 Q15391 1/20 0.47
POLB P06746 3/20 0.43
EPHX1 P07099 2/20 0.41
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PRKX P51817 1/20 0.40
PRKG2 Q13237 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
CYP3A5 P20815 1/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL5060621 0.85 RAB9A (0.52) QPCTP2RY14POLBRAB9ASMN1; SMN2
SCHEMBL5060616 0.81 QPCT (0.50) QPCTP2RY14POLBEPHX1RAB9A
SCHEMBL16667022 0.78 QPCT (0.51) QPCTCYP3A4POLBCYP3A5RAB9A
SCHEMBL3634735 0.76 QPCT (0.80) QPCTCYP3A4P2RY6P2RY14RAB9A
SCHEMBL13373434 0.75 QPCT (0.53) QPCTP2RY14POLBEPHX1RAB9A
SCHEMBL27548487 0.74 NPC1 (0.55) QPCTCYP3A4POLBEPHX1ROCK2
SCHEMBL1973642 0.74 SMN1; SMN2 (0.61) QPCTCYP3A4P2RY6P2RY14POLB
SCHEMBL5265934 0.73 NAMPT (0.51) QPCTCYP3A4P2RY6P2RY14POLB
SCHEMBL5068646 0.73 QPCT (0.52) QPCTPOLBROCK2RAB9ASMN1; SMN2
SCHEMBL839649 0.72 KDM4E (0.54) QPCTP2RY14POLBEPHX1ROCK2

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-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885CYP3A4 2767/4885P2RY6 3010/4885

“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.