SCHEMBL970413

SCHEMBL970413

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 1/20 0.33
DCTPP1 Q9H773 2/20 0.32
GPR35 Q9HC97 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
CYP19A1 P11511 1/20 0.32
NQO2 P16083 1/20 0.32
S1PR4 O95977 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
SCHEMBL3326254 0.89 CRHR1 (0.32) CRHR1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13361960 0.87 NPC1 (0.36) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL968700 0.87 KMT2A (0.33) CRHR1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3325859 0.87 AMY1A (0.32) CRHR1MAPTALDH1A1POLBHTT
SCHEMBL3330603 0.87 ALOX5 (0.33) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL3325965 0.84 KMT2A (0.38) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL3324746 0.84 PTGS2 (0.35) CRHR1ALDH1A1KMT2AMEN1S1PR4
SCHEMBL970040 0.82 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL969708 0.77 PDE2A (0.45) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL970957 0.73 SMN1; SMN2 (0.36) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP disclosed
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
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
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 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 (2 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 CRHR1 1597/4885MAPT 3773/4885SMN1; SMN2 1897/4885
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A CRHR1 2307/4885MAPT 3499/4885SMN1; SMN2 1586/4885

“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.