SCHEMBL2774175

SCHEMBL2774175

COCCOc1ccc2c(c1)nc(NCCN(C)C)n[n+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
BRAF P15056 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM1A O60341 4/20 0.34
RCOR1 Q9UKL0 4/20 0.34
EHMT2 Q96KQ7 3/20 0.34
BRD4 O60885 3/20 0.34
WHR1 P49842 1/20 0.34
SPIN4 Q56A73 1/20 0.33
SPIN3 Q5JUX0 1/20 0.33
SPIN2B Q9BPZ2 1/20 0.33
SPIN1 Q9Y657 1/20 0.33
SYK P43405 1/20 0.33
FGFR1 P11362 2/20 0.33
SRC P12931 2/20 0.33
MKNK1 Q9BUB5 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL2776163 0.88 POLB (0.41) RAD52SCN9A
SCHEMBL2776640 0.88 KDM1A (0.42) RAD52SCN9AKDM1ARCOR1EHMT2
SCHEMBL2776095 0.80 CA12 (0.34)
SCHEMBL6833397 0.80 CRHBP (0.43) RAD52SCN9AKDM1ARCOR1EHMT2
SCHEMBL2774178 0.79 KCNH2 (0.40) RAD52KDM1ARCOR1EHMT2
SCHEMBL14428384 0.78 BRD4 (0.40) RAD52BRAFKDM1ARCOR1EHMT2
SCHEMBL2776366 0.78 SCN9A (0.42) SCN9AKDM1ARCOR1EHMT2
SCHEMBL6679102 0.76 FLT3 (0.39) KDM1ARCOR1EHMT2WHR1
SCHEMBL6677683 0.76 KCNH2 (0.36) KDM1ARCOR1EHMT2WHR1SYK
SCHEMBL6673922 0.75 DNM2 (0.37) RAD52KDM1ARCOR1EHMT2WHR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 RAD52 1139/4885BRAF 4492/4885SCN9A 3016/4885

“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.