SCHEMBL7859639

SCHEMBL7859639

COc1ccc(-c2nn(-c3ccccc3)cc2C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
RAB9A P51151 4/20 0.72
KDM4E B2RXH2 2/20 0.72
NPC1 O15118 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 2/20 0.72
MAPT P10636 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.67
HTT P42858 1/20 0.67
NLRP3 Q96P20 1/20 0.67
ATM Q13315 1/20 0.67
CCNE1 P24864 3/20 0.59
CDK2 P24941 3/20 0.59
AURKA O14965 4/20 0.58
TP53 P04637 1/20 0.57
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
GPR35 Q9HC97 1/20 0.56
CA12 O43570 1/20 0.56

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
SCHEMBL7852486 0.85 PTGS2 (0.57) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL2712424 0.84 L3MBTL1 (0.62) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL4186718 0.83 RAB9A (0.65) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL2709963 0.82 L3MBTL1 (0.60) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL8373366 0.81 MEN1 (0.55) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL7852489 0.81 CNR1 (0.60) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL7860583 0.81 KDM4E (0.58) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL8969748 0.81 RAB9A (0.78) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL8931505 0.81 MEN1 (0.67) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL11244031 0.80 RAB9A (1.00) MEN1KMT2ARAB9AKDM4ENPC1

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 MEN1 1839/4885KMT2A 3345/4885RAB9A 1485/4885

“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.