SCHEMBL3364397

SCHEMBL3364397

Cn1nc2c(-c3ccccc3)cccc2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
POLB P06746 1/20 0.43
LIMK1 P53667 2/20 0.42
ACVR1 Q04771 2/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK5 Q00535 1/20 0.42
TNK2 Q07912 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3365869 0.76 CYP3A4 (0.40) MAPTHRH4LIMK1ACVR1MAP4K4
SCHEMBL14416828 0.75 HRH4 (0.42) MAPTHRH4POLBALDH1A1HSD17B10
SCHEMBL4699239 0.75 HRH4 (0.44) MAPTHRH4POLBALDH1A1HSD17B10
SCHEMBL4702940 0.75 CRHR1 (0.43) MAPTHRH4ALDH1A1HSD17B10GABRG2
SCHEMBL3361895 0.74 KDM1A (0.39) HRH4BRD4ALDH1A1ENPP1MEN1
SCHEMBL3367923 0.73 CRHR1 (0.53) CRHR1
SCHEMBL2914480 0.70 MAPT (0.46) MAPTHRH4POLBALDH1A1HSD17B10
SCHEMBL28724634 0.67 MET (0.44) MAPTHRH4ALDH1A1HSD17B10NPC1
SCHEMBL34467155 0.67 HRH4 (0.44) HRH4LTKCLK4ALDH1A1HSD17B10
SCHEMBL21555506 0.67 HRH4 (0.44) HRH4LTKCLK4ALDH1A1HSD17B10

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 7 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
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 MAPT 958/4885HRH4 326/4885POLB 3783/4885

“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.