SCHEMBL3364428

SCHEMBL3364428

COC(=O)c1c2cccc(-c3cc(C)cc(C)c3)c2nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA2 P47869 2/20 0.41
CHRM3 P20309 2/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.36
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3364407 0.91 HSD17B10 (0.44) GABRG2GABRB3GABRA2CHRM3F2
SCHEMBL3364109 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA2CHRM3BRD9
SCHEMBL3364994 0.83 BRD4 (0.46) ELANEALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3364683 0.81 TP53 (0.40) ALDH1A1HPGDSMN1; SMN2HSD17B10PABPC1
SCHEMBL3364253 0.81 NR4A2 (0.41) ELANEALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3363718 0.81 GABRG2 (0.42) GABRG2GABRB3GABRA2CHRM3BRD9
SCHEMBL3367735 0.81 KDM4E (0.42) PLAUELANEALDH1A1HPGDSMN1; SMN2
SCHEMBL3364893 0.80 SMN1; SMN2 (0.40) GABRG2GABRB3GABRA2F2PLAU
SCHEMBL8296174 0.80 ALDH1A1 (0.43) F2PLAUELANEALDH1A1HPGD
SCHEMBL28759985 0.78 GABRG2 (0.41) GABRG2GABRB3GABRA2CHRM3BRD9

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 8 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
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
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
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 GABRG2 24/4885GABRB3 11/4885GABRA2 2/4885

“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.