SCHEMBL3364330

SCHEMBL3364330

Cn1nc2c(-c3ncc(Cl)cc3Cl)cccc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.33
CNR2 P34972 1/20 0.32
CDK1 P06493 1/20 0.32
BDKRB2 P30411 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PTGES O14684 1/20 0.31
PDK2 Q15119 1/20 0.31
SMO Q99835 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KMT2A Q03164 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
SCHEMBL3364043 0.87 CRHR1 (0.35) CRHR1CNR2BDKRB2KDM4EALDH1A1
SCHEMBL3364251 0.86 CRHR1 (0.36) CRHR1CNR2KDM4EALDH1A1HPGD
SCHEMBL368235 0.80 CRHR1 (0.53) CRHR1
SCHEMBL14230810 0.75 KMT2A (0.35) CRHR1BDKRB2KDM4EALDH1A1HPGD
SCHEMBL3364430 0.74 APLNR (0.37) CRHR1CNR2KDM4EALDH1A1PDK2
SCHEMBL13538502 0.74 CRHR1 (0.40) CRHR1HPGDKMT2A
Hydrochloric Acid SCHEMBL3367739 0.73 APLNR (0.36) CRHR1CNR2KDM4EALDH1A1PDK2
SCHEMBL23300447 0.70 BCHE (0.43) CRHR1KDM4EALDH1A1HPGDPDK2
SCHEMBL3362933 0.69 CRHR1 (0.43) CRHR1
Hydrochloric Acid SCHEMBL3364271 0.68 CRHR1 (0.42) CRHR1

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
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
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US 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 CRHR1 183/4885CNR2 9/4885CDK1 625/4885

“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.