SCHEMBL7035601

SCHEMBL7035601

CC(C)n1cnc2c(I)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 7/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
HCAR3 P49019 1/20 0.38
ADA P00813 2/20 0.36
CDK5 Q00535 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PSMD14 O00487 1/20 0.33
MMP2 P08253 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
SCHEMBL7091031 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL15910828 0.76 ADA (0.56) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL16747750 0.72 ADA (0.56) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL19009129 0.70 CDK2 (0.45) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL18510355 0.69 SMN1; SMN2 (0.49) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL18232216 0.67 SMN1; SMN2 (0.46) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL19397177 0.67 SMN1; SMN2 (0.50) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL13672555 0.67 SMN1; SMN2 (0.40) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL13829046 0.67 ADORA2A (0.42) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA
SCHEMBL21123200 0.66 SMN1; SMN2 (0.37) SMN1; SMN2ADORA2AADORA1ADORA2BPI4KA

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
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

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 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-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 SMN1; SMN2 2343/4885ADORA2A 2105/4885ADORA1 891/4885
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.