SCHEMBL1312622

SCHEMBL1312622

Brc1ccc2c(c1)nnn2Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.38
▸ PTK2 Q05397 6/20 0.37
▸ HCAR3 P49019 4/20 0.36
▸ SLC9A1 P19634 2/20 0.34
▸ MGAM O43451 2/20 0.34
▸ AMY1A P0DUB6 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SI P14410 2/20 0.34
▸ MGAM2 Q2M2H8 2/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ TDO2 P48775 1/20 0.32

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
SCHEMBL1312086 0.80 SLC9A1 (0.55) GRM2PTK2SLC9A1RAB9A
SCHEMBL24483865 0.72 HCAR3 (0.46) HCAR3SLC9A1MGAMAMY1AGAA
SCHEMBL23119707 0.71 HCAR3 (0.58) GRM2HCAR3SLC9A1MGAMAMY1A
SCHEMBL23119752 0.69 HCAR3 (0.63) HCAR3SLC9A1RAB9APOLB
SCHEMBL25339436 0.68 PTK2 (0.50) GRM2PTK2HCAR3SLC9A1MGAM
SCHEMBL26449157 0.66 AR (0.49) HCAR3SLC9A1MGAMAMY1AGAA
SCHEMBL1312576 0.66 TDO2 (0.53) HCAR3MGAMAMY1AGAASI
SCHEMBL251664 0.66 PTK2 (0.40) GRM2PTK2SLC9A1MGAMAMY1A
SCHEMBL12100525 0.66 HCAR3 (0.54) HCAR3SLC9A1RAB9APOLBTDO2
SCHEMBL9636128 0.66 PABPC1 (0.36) HCAR3MGAMAMY1AGAASI

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 GRM2 118/4885PTK2 4697/4885HCAR3 541/4885

“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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