SCHEMBL3361898

SCHEMBL3361898

Cn1cc2cncc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
HSD11B1 P28845 3/20 0.43
KCNH2 Q12809 2/20 0.41
F2RL3 Q96RI0 2/20 0.40
CRHR1 P34998 8/20 0.39
LMNA P02545 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL3361832 0.81 CRHR1 (0.52) HSD11B1KCNH2F2RL3CRHR1LMNA
Hydrochloric Acid SCHEMBL3364528 0.80 CRHR1 (0.51) HSD11B1KCNH2CRHR1LMNA
SCHEMBL3364325 0.73 NPC1 (0.42) HSD11B1CRHR1
Hydrochloric Acid SCHEMBL3364477 0.72 NPC1 (0.41) HSD11B1CRHR1
SCHEMBL12856408 0.72 HSD11B1 (0.54) HSD11B1KCNH2F2RL3CRHR1LMNA
SCHEMBL3365276 0.71 NPC1 (0.43) HSD11B1F2RL3CRHR1
SCHEMBL12859298 0.70 HSD11B1 (0.47) HSD11B1KCNH2F2RL3CRHR1LMNA
SCHEMBL8295674 0.70 CRHR1 (0.37) HSD11B1F2RL3CRHR1
SCHEMBL14206582 0.70 HSD11B1 (0.36) JAK2JAK1TYK2JAK3HSD11B1
SCHEMBL12871630 0.69 HSD11B1 (0.46) HSD11B1KCNH2CRHR1

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 9 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
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 JAK2 1946/4885JAK1 2748/4885TYK2 3295/4885

“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.