SCHEMBL7032383

SCHEMBL7032383

Nc1ccc2c(c1Br)N(C1CCCC1)CN2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 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
SCHEMBL7031882 0.74 TRPC5 (0.33)
SCHEMBL7030754 0.72 BRD4 (0.33)
SCHEMBL7025968 0.69 MAPT (0.40) JAK2JAK1TYK2JAK3
SCHEMBL7027328 0.69
SCHEMBL7032542 0.67 TNF (0.32)
SCHEMBL7032436 0.65 EPHX2 (0.38)
SCHEMBL29091543 0.62 GAA (0.58) JAK2JAK1TYK2JAK3
SCHEMBL4611764 0.60 JAK2 (0.73) JAK2JAK1TYK2JAK3
SCHEMBL7032380 0.58 HCAR1 (0.44) JAK2JAK1JAK3ADORA3ADORA2A
SCHEMBL28249605 0.56 GAA (0.54)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (4 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 JAK2 2107/4885JAK1 2654/4885TYK2 2650/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 JAK2 1968/4885JAK1 2570/4885TYK2 2578/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 JAK2 2293/4885JAK1 2662/4885TYK2 2735/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 JAK2 2107/4885JAK1 2654/4885TYK2 2650/4885

“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.