SCHEMBL3365042

SCHEMBL3365042

COCc1c2cccc(Br)c2nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MPO P05164 1/20 0.32
ADORA1 P30542 1/20 0.31
IGF1R P08069 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14077454 0.81 GRM2 (0.45) GRM2HRH4ALDH1A1TSHRKMT2A
SCHEMBL3364552 0.80 GRM2 (0.41) GRM2HTTKDM4ENPC1ALOX12
SCHEMBL27615504 0.75 PTGDR2 (0.40) GRM2KDM4EALDH1A1CA12CA9
SCHEMBL27138483 0.75 GRM2 (0.41) GRM2HRH4ALDH1A1MPOADORA1
SCHEMBL3364556 0.73 CRHR1 (0.49)
SCHEMBL359647 0.72 LMNA (0.41) GRM2HTTHRH4ALDH1A1MEN1
SCHEMBL4699239 0.70 HRH4 (0.44) GRM2KDM4ENPC1RAB9AHRH4
SCHEMBL27141816 0.70 GRM2 (0.40) GRM2HRH4ALDH1A1ADORA1MAPT
SCHEMBL3366488 0.70 HRH4 (0.41) GRM2HRH4ALDH1A1ADORA1MAPT
SCHEMBL27633963 0.70 HRH4 (0.33) GRM2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
CN-100584830-C Gabanergic modulators HOFFMANN LA ROCHE LLC 2010-01-27 CN disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
CN-1852897-A Gamma-aminobutyric acid modulators ROCHE PALO ALTO LLC (CH) 2006-10-25 CN disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO 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-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 GRM2 126/4885HTT 3879/4885NPSR1 165/4885

“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.