SCHEMBL359647

SCHEMBL359647

Cc1c2cccc(Br)c2nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 4/20 0.41
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ADORA1 P30542 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
PDE7A Q13946 1/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33

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
SCHEMBL13647077 0.82 CYP2A6 (0.42) TP53L3MBTL1HRH4ALDH1A1GAA
SCHEMBL14231152 0.78 LMNA (0.32) LMNATP53THRBTLR9L3MBTL1
SCHEMBL3366488 0.78 HRH4 (0.41) LMNATP53THRBTLR9L3MBTL1
SCHEMBL4699239 0.78 HRH4 (0.44) LMNATP53THRBTLR9L3MBTL1
SCHEMBL13106238 0.78 NR4A2 (0.42) ARMAPTGAAPDE7A
SCHEMBL13106233 0.78 PDE7A (0.36) LMNATP53THRBTLR9L3MBTL1
SCHEMBL3364443 0.76 GRM2 (0.51) LMNAGRM2ALDH1A1ADORA1MAPT
SCHEMBL14077454 0.76 GRM2 (0.45) GRM2HRH4ALDH1A1ADORA1TSHR
SCHEMBL3364552 0.74 GRM2 (0.41) LMNATP53L3MBTL1GRM2HRH4
SCHEMBL3840411 0.74 GRM2 (0.37) LMNATP53THRBTLR9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103052633-A Amids Substituted Indazole Derivativees As Ploy(adp-ribose)polymerase Inhibitors ZHEJIANG BETA PHARMA INC 2013-04-17 CN disclosed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
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-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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
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 (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-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 LMNA 2970/4885TP53 4553/4885THRB 835/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 LMNA 4006/4885TP53 1421/4885THRB 3468/4885

“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.