SCHEMBL6054544

SCHEMBL6054544

Clc1ccc(NC2=NCCN2)c2nsnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 17/20 0.64
▸ ADRA2B P18089 15/20 0.64
▸ ADRA2C P18825 15/20 0.64
▸ ADRA1A P35348 12/20 0.64
▸ LMNA P02545 5/20 0.64
▸ NISCH Q9Y2I1 3/20 0.64
▸ HRH2 P25021 2/20 0.64
▸ ADRA1D P25100 11/20 0.52
▸ ADRA1B P35368 11/20 0.52
▸ CYP2D6 P10635 3/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLC22A1 O15245 1/20 0.50
▸ SLC22A3 O75751 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SLC47A1 Q96FL8 1/20 0.50

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
SCHEMBL6054571 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054577 0.83 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054581 0.82 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11470614 0.81 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11190236 0.80 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054561 0.80 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL60334 0.78 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
Tizanidine SCHEMBL20769844 0.78 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054545 0.77 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054549 0.77 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063813-A1 Organic compounds CRAWLEY PATRICK E 2006-03-23 — — US disclosed
EP-1572186-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HERPES VIRUS INFECTIONS USING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS OR CYCLOOXYGENASE-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS Pharmacia Corporation (US) 2005-09-14 — — EP disclosed
EP-1556042-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN Novartis AG (CH) 2005-07-27 — — EP disclosed
WO-2004056349-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HERPES VIRUS INFECTIONS USING CYCLOOXYGENASE-2 SELECTIVE INHIBITORS OR CYCLOOXYGENASE-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS PHARMACIA CORPORATION (US) 2004-07-08 — — WO disclosed
WO-2004035030-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN NOVARTIS AG (CH) 2004-04-29 — — 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-20060063813-A1 Organic compounds PTGES2, PTGS2, PTGER2 ADRA2A 1059/4885ADRA2B 1064/4885ADRA2C 525/4885

“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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