SCHEMBL7859636

SCHEMBL7859636

Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.59
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CCNE1 P24864 7/20 0.48
CDK2 P24941 7/20 0.48
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 3/20 0.47
AURKA O14965 1/20 0.46
CNR1 P21554 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL7852485 0.82 POLB (0.51) PTGS2MEN1KMT2ACCNE1CDK2
SCHEMBL7859575 0.82 CNR1 (0.54) PTGS2CCNE1CDK2CA12CA9
SCHEMBL24185328 0.79 PTGS2 (0.44) PTGS2MEN1NPC1RAB9AKMT2A
SCHEMBL24572684 0.78 CCNE1 (0.54) MEN1NPC1RAB9AKMT2ACCNE1
SCHEMBL7852486 0.78 PTGS2 (0.57) PTGS2MEN1NPC1RAB9AKMT2A
SCHEMBL12922059 0.76 PTGS2 (0.86) PTGS2MEN1NPC1RAB9AKMT2A
SCHEMBL7852489 0.75 CNR1 (0.60) PTGS2MEN1NPC1RAB9AKMT2A
SCHEMBL8373366 0.75 MEN1 (0.55) PTGS2MEN1NPC1RAB9AKMT2A
SCHEMBL12922061 0.75 AURKA (0.67) MEN1RAB9AKMT2ACA12CA9
SCHEMBL13802336 0.74 NPSR1 (0.40) PTGS2MEN1NPC1RAB9AKMT2A

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-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 PTGS2 1443/4885MEN1 1839/4885NPC1 2786/4885

“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.