SCHEMBL1312086

SCHEMBL1312086

c1ccc2c(c1)nnn2Cc1c[nH]cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 9/20 0.55
▸ GRM2 Q14416 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.51
▸ KCNMA1 Q12791 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ EGLN3 Q9H6Z9 2/20 0.47
▸ PTK2 Q05397 1/20 0.46

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
SCHEMBL1312622 0.80 GRM2 (0.38) SLC9A1GRM2RAB9APTK2
SCHEMBL14987764 0.77 SLC9A1 (0.57) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL23386958 0.74 SLC9A1 (0.57) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL12204547 0.73 GRM2 (0.64) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL2734889 0.72 GRM2 (1.00) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL14796568 0.71 SLC9A1 (0.79) SLC9A1GRM2TDP1NPC1MAPT
SCHEMBL27416345 0.71 SLC9A1 (0.57) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL1774497 0.70 SLC9A1 (0.70) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL31234269 0.70 SLC9A1 (0.70) SLC9A1GRM2TDP1KCNMA1NPC1
SCHEMBL27415682 0.70 SLC9A1 (0.60) SLC9A1GRM2TDP1KCNMA1NPC1

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-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 — — EP claimed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 — — US claimed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 — — US claimed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 — — WO claimed
EP-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 — — EP disclosed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 — — US disclosed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 — — US disclosed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 — — 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-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GABBR1, ABAT, GABBR2 SLC9A1 2708/4885GRM2 118/4885TDP1 418/4885

“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.

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