SCHEMBL3364249

SCHEMBL3364249

Cc1cc(C#N)ccc1-c1cccc2cn(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.43
CYP11B2 P19099 9/20 0.41
CYP11B1 P15538 6/20 0.41
HPGDS O60760 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
NSD2 O96028 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL4698473 0.77 TGFBR1 (0.41) CYP11B2CYP11B1CASP1CASP7
SCHEMBL15856482 0.73 CA1 (0.50) EGLN2CYP11B2CYP11B1ALOX15TSHR
SCHEMBL2154193 0.72 CYP11B2 (0.53) EGLN2CYP11B2CYP11B1SLC22A12
SCHEMBL25202244 0.72 EGLN2 (0.33) EGLN2CYP11B2CYP11B1HPGDSALOX15
SCHEMBL3364451 0.72 CRHR1 (0.42) NSD2
SCHEMBL14926516 0.71 CYP11B2 (0.47) EGLN2CYP11B2CYP11B1TSHRSLC22A12
SCHEMBL13538624 0.71 CRHR1 (0.42) ALOX15TSHRL3MBTL1SCN9A
SCHEMBL7955178 0.69 NOS1 (0.39) TSHRCASP1CASP7L3MBTL1NSD2
Hydrochloric Acid SCHEMBL30534248 0.69 HTT (0.38) HPGDSALOX15TSHRCASP1CASP7
Hydrochloric Acid SCHEMBL30557244 0.69 HTT (0.38) HPGDSALOX15TSHRCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
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
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 EGLN2 551/4885CYP11B2 226/4885CYP11B1 323/4885

“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.