SCHEMBL7091031

SCHEMBL7091031

CC(C)n1cnc2c(Br)c(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
ADORA2B P29275 2/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CDK1 P06493 6/20 0.41
CDK2 P24941 4/20 0.41
CCNE1 P24864 3/20 0.41
CCNB1 P14635 3/20 0.41
HCAR3 P49019 1/20 0.38
ADA P00813 2/20 0.36
CCNE2 O96020 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL7035601 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL7867575 0.78 ADA (0.39) SMN1; SMN2ADORA2AADORA1ADORA2BADA
SCHEMBL7089917 0.77 DPP4 (0.42) ADORA2AADORA1CDK1CDK2CCNE1
SCHEMBL7091195 0.76 TLR7 (0.43) ADORA2AADORA1ADORA2BCDK2CCNE1
SCHEMBL15910828 0.76 ADA (0.56) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL7027324 0.73 ADORA2A (0.42) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL16747750 0.72 ADA (0.56) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL7036343 0.71 ADORA2A (0.45) ADORA2AADORA1ADORA2BCDK1CDK2
SCHEMBL25429782 0.70 HPGD (0.38) SMN1; SMN2HCAR3ALDH1A1
SCHEMBL31339746 0.70 HPGD (0.38) SMN1; SMN2HCAR3ALDH1A1

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
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 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 (3 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 SMN1; SMN2 2203/4885ADORA2A 1693/4885ADORA1 676/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 SMN1; SMN2 2392/4885ADORA2A 1743/4885ADORA1 695/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 SMN1; SMN2 2203/4885ADORA2A 1693/4885ADORA1 676/4885

“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.