SCHEMBL3364253

SCHEMBL3364253

COC(=O)c1c2cccc(-c3ccoc3)c2nn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
IMPDH2 P12268 1/20 0.39
ELANE P08246 1/20 0.37
TOP2A P11388 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
SCHEMBL3368008 0.86 HRH4 (0.43) HRH4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3362490 0.81 HRH4 (0.40) NR4A2HRH4TUBB4ATUBBTUBA3C
SCHEMBL3364428 0.81 GABRG2 (0.41) ELANEALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3364407 0.80 HSD17B10 (0.44) ELANEALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3367735 0.79 KDM4E (0.42) NR4A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3364994 0.79 BRD4 (0.46) ELANEALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3364683 0.79 TP53 (0.40) ALDH1A1HPGDSMN1; SMN2PDE10AKDM4E
SCHEMBL3364893 0.78 SMN1; SMN2 (0.40) ELANEALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8296174 0.78 ALDH1A1 (0.43) NR4A2ELANETOP2AALDH1A1HPGD
SCHEMBL3364882 0.75 ALDH1A1 (0.45) NR4A2ELANEALDH1A1HPGDSMN1; SMN2

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 10 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
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 NR4A2 194/4885HRH4 326/4885TUBB4A 3514/4885

“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.