SCHEMBL3325859

SCHEMBL3325859

COc1cc(F)c([N+](=O)[O-])c(-n2cc(C)nc2Br)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
CRHR1 P34998 1/20 0.32
DCTPP1 Q9H773 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 4/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GRIN2D O15399 1/20 0.30

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
SCHEMBL970413 0.87 CRHR1 (0.36) ALDH1A1MAPK1CRHR1DCTPP1LMNA
SCHEMBL970957 0.85 SMN1; SMN2 (0.36) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL13361923 0.85 GRIN2D (0.37) ALDH1A1MAPK1LMNAMAPTMEN1
SCHEMBL3321918 0.81 GAA (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL968700 0.81 KMT2A (0.33) ALDH1A1MAPK1CRHR1LMNAMAPT
SCHEMBL3326254 0.79 CRHR1 (0.32) CRHR1LMNAMAPTMEN1KMT2A
SCHEMBL3325025 0.79 TAAR1 (0.33) GRM8CYP1A2GRM7
SCHEMBL13361955 0.78 GRM8 (0.31) MAPTGRM8CYP1A2GRM7
SCHEMBL3330603 0.76 ALOX5 (0.33) AMY1AALDH1A1MAPK1LMNAMAPT
SCHEMBL3324746 0.76 PTGS2 (0.35) ALDH1A1CRHR1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 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-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A AMY1A 178/4885ALDH1A1 133/4885MAPK1 613/4885

“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.