SCHEMBL7032433

SCHEMBL7032433

Nc1ccc2ncn(Cc3ccccc3)c2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
TNF P01375 1/20 0.50
ADORA2A P29274 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2B P29275 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
GRK2 P25098 1/20 0.40

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
SCHEMBL7025928 0.77 LMNA (0.52) CYP11B1CYP11B2TNFADORA2API4KA
SCHEMBL7033563 0.76 DPP4 (0.46) DPP4ADORA2AADORA2BLMNA
SCHEMBL7032540 0.76 ADORA2A (0.45) DPP4ADORA2APDE1APDE1BPDE1C
SCHEMBL7025957 0.75 TLR7 (0.46) ADORA2APDE2APDE1APDE1BPDE1C
SCHEMBL3767345 0.73 CYP11B1 (0.66) DPP4CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL28262293 0.73 CYP11B1 (0.53) DPP4CYP11B1CYP11B2TNFPDE2A
SCHEMBL7216047 0.71 CYP11B1 (0.53) CYP11B1CYP11B2TNFADORA2API4KA
SCHEMBL7031879 0.70 NPSR1 (0.41) CYP11B2PDE1APDE1BPDE1CHTT
SCHEMBL7027326 0.70 ADRA2A (0.52) DPP4CYP11B1CYP11B2TNFMAPK1
SCHEMBL24265723 0.70 CYP11B1 (0.53) CYP11B1CYP11B2TNFADORA2API4KA

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-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
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 DPP4 3383/4885CYP11B1 450/4885CYP11B2 434/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 DPP4 3372/4885CYP11B1 479/4885CYP11B2 462/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 DPP4 3409/4885CYP11B1 381/4885CYP11B2 373/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 DPP4 3383/4885CYP11B1 450/4885CYP11B2 434/4885

“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.